# cif

formula: Yb Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: YbSe
a: 5.867
b: 5.867
c: 5.867
alpha: 90
beta: 90
gamma: 90
cell_volume: 201.952
crystal_density: 8.288
atoms_sites: ["Yb", "Se"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAEAAAAAAAAAABAAAAAAAAAEAAAAAAABAAAAAAAEAAAAAAAAAAAAAgAAAAAQAAAABAAAAAEAAAACAAAACAAAACAAAAAAAABAAAAQAAAEAAACAAACAAAEAA==


formula: Zr B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: ZrB
a: 4.65
b: 4.65
c: 4.65
alpha: 90
beta: 90
gamma: 90
cell_volume: 100.545
crystal_density: 6.741
atoms_sites: ["Zr", "B"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAgAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAIAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAEAAAAAAIAAAAAAgAAAAAIAAA==


formula: Zr C
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: ZrC
a: 4.6828
b: 4.6828
c: 4.6828
alpha: 90
beta: 90
gamma: 90
cell_volume: 102.687
crystal_density: 6.678
atoms_sites: ["Zr", "C"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAEAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAEAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAIAAAAAAIAAAAAAgAAAAAQAAAA==


formula: Zr N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: ZrN
a: 4.61
b: 4.61
c: 4.61
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.972
crystal_density: 7.134
atoms_sites: ["Zr", "N"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAACAAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAIAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAACAAAAAACAAAAAAEAAAAABAA==


formula: Zr P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: ZrP
a: 5.27
b: 5.27
c: 5.27
alpha: 90
beta: 90
gamma: 90
cell_volume: 146.363
crystal_density: 5.545
atoms_sites: ["Zr", "P"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAQAAAAAAAAAAABAAAAAAAAAAEAAAAAAAABAAAAAAAAIAAAAAAAAAAAAAAEAAAAAAQAAAAACAAAAABAAAAACAAAAAQAAAACAAAAAAAAAAgAAABAA==


formula: Zr S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York rocksalt structure
formula_title: ZrS
a: 5.250
b: 5.250
c: 5.250
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.703
crystal_density: 5.659
atoms_sites: ["Zr", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAIAAAAAAAAAAAAgAAAAAAAAABAAAAAAAAAQAAAAAAACAAAAAAAAAAAAAABAAAAAACAAAAAAQAAAAAIAAAAAQAAAABAAAAAQAAAAAAAAACAAAAEA==


formula: Nb O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Sample: defective rocksalt structure
formula_title: NbO
a: 4.2103
b: 4.2103
c: 4.2103
alpha: 90
beta: 90
gamma: 90
cell_volume: 74.634
crystal_density: 7.269
atoms_sites: ["Nb", "O"]
atoms_x: AAAAAICEHgA=
atoms_y: gIQeAAAAAAA=
atoms_z: gIQeAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAACAAAAAAAAAAAgAAAAAAAAIAAAAAAACAAAAAAAQAAAAAAgAAAAAEAAAAAEAAAAAIAAAACAAAABAAAABAAAAAAAAAQAAABAAAAgAAAQAAAIAAAIAAAQAAAg==


formula: Ge Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: GeSe
a: 4.40
b: 10.82
c: 3.85
alpha: 90
beta: 90
gamma: 90
cell_volume: 183.291
crystal_density: 5.493
atoms_sites: ["Ge", "Se"]
atoms_x: YMYGAICEHgA=
atoms_y: oGIHAMAW9/8=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAIAAAAAAAABAAAAAAAAACBAAAAAAACEAAIAAJHACwAAIgAAABRAAAAJwBgAIgFAAxAAACwAABICAHyFQB8BAhwAA5BBCVsAYBEJACZpAaIQrBAPgARQCYJKAYggBFQcvSpQSJAnYwLECoSIEAcuC==


formula: Ge S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: GeS
a: 4.30
b: 10.44
c: 3.65
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.856
crystal_density: 4.243
atoms_sites: ["Ge", "S"]
atoms_x: QHgGAGCzHgA=
atoms_y: oGIHAID39v8=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAgAAAAAAAAAIAAAAAAAAAQEAAAAAACCAACAAAENAAxAAQgAAAAIgAAAALAJAAIgEQAMCAAAUQABCAIJTOJEioAImAAUhkAcFVEkgAgMAGCoYIoEogBlIAgAKJhACSCAWFIwNVnFUCB4yDiAwgVA==


formula: Sn S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.33
b: 11.18
c: 3.98
alpha: 90
beta: 90
gamma: 90
cell_volume: 192.669
crystal_density: 5.198
atoms_sites: ["Sn", "S"]
atoms_x: 4AQHAMAsHQA=
atoms_y: wDMHAEDY9v8=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAACAAAAAAAAAgAAAAAAAAEEAAAAAAAAAIIABCCAhwAQAARAAEACIAACEoBQgBgCECEABAGAAIQAlEiEACwEBKAiHQIBkKAWDAKBFZJA7ACICBwQA6QIjA4GAAxCEVoAwUmIlChagUCKGRJBwAMQMId==


formula: Sn Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: SnSe
a: 4.46
b: 11.57
c: 4.19
alpha: 90
beta: 90
gamma: 90
cell_volume: 216.213
crystal_density: 6.073
atoms_sites: ["Sn", "Se"]
atoms_x: YEkGAGA8HQA=
atoms_y: wDMHAGAm9/8=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAQAAAAAAAEAAAAAAAAARAAAAAAAAAAhAAoCAQ4AQAAKACAAIQAAURAhIBAEgEBBAASAAQIEkhMAEIoGAbRKjCgLQgNQlBHJIOICwACMUUAVIMFJKAIBRFhBQUIDZwhcYUAFAWshghMgeUanKZJGMF==


formula: In S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: InS
a: 4.442
b: 10.642
c: 3.940
alpha: 90
beta: 90
gamma: 90
cell_volume: 186.251
crystal_density: 5.238
atoms_sites: ["In", "S"]
atoms_x: IKEHAKDSHgA=
atoms_y: oGIHAGAm9/8=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAKAAAAAAAQQAAQAQQiiCAgAGAAAAQgQAAiATACAgCEoQAEAgECAAACOSLkIQtgqAYBBKoAaTgJYMIULAhRgOBNAiIgYKIAYpAQpABBErtFs4dIAaIUpJACRIhGCFfMwi==


formula: Cs Br
compound: <missing>
formula_title: CsBr
a: 4.286
b: 4.286
c: 4.286
alpha: 90
beta: 90
gamma: 90
cell_volume: 78.733
crystal_density: 4.488
atoms_sites: ["Cs", "Br"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: CsCl structure, cesium chloride structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAABAAAAAAAAAABAAAAAAAAAgAAAAAAAIAAAAAACAAAAAAIAAAAACAAAAACAAAAAQAAAAEAAAACAAAACAAAAAAAABAAAAQAAAEAAACAAACAAAEAAAIAAAQAAB==


formula: Cs Cl
compound: <missing>
formula_title: CsCl
a: 4.123
b: 4.123
c: 4.123
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.087
crystal_density: 3.989
atoms_sites: ["Cs", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: CsCl structure, cesium chloride structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAABAAAAAAAAAAAQAAAAAAAABAAAAAAAAIAAAAAAAgAAAAAAgAAAAACAAAAACAAAAACAAAAAQAAAAIAAAAEAAAAAAAAAgAAACAAAAgAAAIAAAEAAACAAAEA==


formula: Cs I
compound: <missing>
formula_title: CsI
a: 4.5667
b: 4.5667
c: 4.5667
alpha: 90
beta: 90
gamma: 90
cell_volume: 95.237
crystal_density: 4.530
atoms_sites: ["Cs", "I"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: CsCl structure, cesium chloride structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAABAAAAAAAAAAQAAAAAAABAAAAAAAEAAAAAAEAAAAABAAAAACAAAAAIAAAAEAAAAEAAAAIAAAAgAAAAAAACAAACAAACAAACAAAIAAAgAAEAAAgAAEAABAAAQAAI==


formula: Rb Cl
compound: <missing>
formula_title: RbCl
a: 3.74
b: 3.74
c: 3.74
alpha: 90
beta: 90
gamma: 90
cell_volume: 52.314
crystal_density: 3.838
atoms_sites: ["Rb", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: CsCl structure, cesium chloride structure
 Sample: T = -17 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAEAAAAAAAAgAAAAAABAAAAAAAgAAAAABAAAAAAQAAAAAIAAAAAQAAAACAAAAAAAAAAIAAAAIAAAAIAA==


formula: Th Te
compound: <missing>
formula_title: ThTe
a: 3.827
b: 3.827
c: 3.827
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.050
crystal_density: 10.655
atoms_sites: ["Th", "Te"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAACAAAAAAAAAAAAgAAAAAAAAAIAAAAAAAAEAAAAAAABAAAAAAAIAAAAAAEAAAAAAgAAAAAIAAAAAIAAAAAQAAAAEAAAAAAAAABAAAABAAAAEAAAAQA==


formula: Tl Br
compound: <missing>
formula_title: TlBr
a: 3.97
b: 3.97
c: 3.97
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.571
crystal_density: 7.545
atoms_sites: ["Tl", "Br"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAABAAAAAAAAAAACAAAAAAAAACAAAAAAAAIAAAAAAAIAAAAAACAAAAAAEAAAAABAAAAAAgAAAACAAAAAQAAAAEAAAAAAAAAEAAAAQAAABAAAAQAAACAAA==


formula: Tl Cl
compound: <missing>
formula_title: TlCl
a: 3.8340
b: 3.8340
c: 3.8340
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.358
crystal_density: 7.067
atoms_sites: ["Tl", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAACAAAAAAAAAAAAgAAAAAAAAAIAAAAAAAAIAAAAAAACAAAAAAAQAAAAAAQAAAAABAAAAAAQAAAAAQAAAABAAAAAIAAAAAAAAACAAAAEAAAAQAAAAgA==


formula: Tl I
compound: <missing>
formula_title: TlI
a: 4.198
b: 4.198
c: 4.198
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.982
crystal_density: 7.436
atoms_sites: ["Tl", "I"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAABAAAAAAAAAAAQAAAAAAAAEAAAAAAABAAAAAAAIAAAAAAIAAAAABAAAAABAAAAACAAAAAgAAAAQAAAAQAAAAAAAACAAAAQAAAEAAACAAABAAABAAACAAAE==


formula: Ag Cd
compound: <missing>
formula_title: AgCd
a: 3.33
b: 3.33
c: 3.33
alpha: 90
beta: 90
gamma: 90
cell_volume: 36.926
crystal_density: 9.906
atoms_sites: ["Ag", "Cd"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAgAAAAAAAAAAAgAAAAAAAAAIAAAAAAAAAgAAAAAAACAAAAAAABAAAAAAAEAAAAAACAAAAAAEAAAAAAgAAAAAIAAAAA==


formula: Ag Ce
compound: <missing>
formula_title: AgCe
a: 3.731
b: 3.731
c: 3.731
alpha: 90
beta: 90
gamma: 90
cell_volume: 51.937
crystal_density: 7.929
atoms_sites: ["Ag", "Ce"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAAAAAAAAIAAAAAAAACAAAAAAAAQAAAAAAAgAAAAAAQAAAAAAgAAAAAEAAAAACAAAAAEAAAAAQAAAAAAAAABAAAACAAAACAA==


formula: Ag La
compound: <missing>
formula_title: AgLa
a: 3.760
b: 3.760
c: 3.760
alpha: 90
beta: 90
gamma: 90
cell_volume: 53.157
crystal_density: 7.709
atoms_sites: ["Ag", "La"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAAAAAAABAAAAAAAAAQAAAAAAAEAAAAAAAQAAAAAAIAAAAAAQAAAAAEAAAAACAAAAAEAAAAAgAAAAAAAAACAAAAEAAAAIAAA==


formula: Ag Mg
compound: <missing>
formula_title: AgMg
a: 3.28
b: 3.28
c: 3.28
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.288
crystal_density: 6.220
atoms_sites: ["Ag", "Mg"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAQAAAAAAAAAAAIAAAAAAAAAAgAAAAAAAACAAAAAAAAEAAAAAAACAAAAAAAIAAAAAABAAAAAACAAAAAAIAAAAABAAA==


formula: Ag Zn
compound: <missing>
formula_title: AgZn
a: 3.156
b: 3.156
c: 3.156
alpha: 90
beta: 90
gamma: 90
cell_volume: 31.435
crystal_density: 9.152
atoms_sites: ["Ag", "Zn"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAQAAAAAAAAAAABAAAAAAAAAAAgAAAAAAAAAgAAAAAAAAQAAAAAAACAAAAAAABAAAAAAAEAAAAAACAAAAAAEAAA==


formula: Al Nd
compound: <missing>
formula_title: AlNd
a: 3.73
b: 3.73
c: 3.73
alpha: 90
beta: 90
gamma: 90
cell_volume: 51.895
crystal_density: 5.479
atoms_sites: ["Al", "Nd"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAAAAAAAAEAAAAAAAABAAAAAAAAIAAAAAAAgAAAAAAIAAAAAAQAAAAACAAAAACAAAAAEAAAAAQAAAAAAAAABAAAABAAAACAA==


formula: Al Ni
compound: <missing>
formula_title: AlNi
a: 2.881
b: 2.881
c: 2.881
alpha: 90
beta: 90
gamma: 90
cell_volume: 23.913
crystal_density: 5.949
atoms_sites: ["Al", "Ni"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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qdat:
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formula: Au Cd
compound: <missing>
formula_title: AuCd
a: 3.34
b: 3.34
c: 3.34
alpha: 90
beta: 90
gamma: 90
cell_volume: 37.260
crystal_density: 13.788
atoms_sites: ["Au", "Cd"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: CsCl structure, cesium chloride structure
 Sample: T = 400 C

qdat:
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formula: Au Mg
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formula_title: AuMg
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b: 3.259
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formula: Au Zn
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formula_title: AuZn
a: 3.19
b: 3.19
c: 3.19
alpha: 90
beta: 90
gamma: 90
cell_volume: 32.462
crystal_density: 13.421
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formula: Be Co
compound: <missing>
formula_title: BeCo
a: 2.606
b: 2.606
c: 2.606
alpha: 90
beta: 90
gamma: 90
cell_volume: 17.698
crystal_density: 6.375
atoms_sites: ["Be", "Co"]
atoms_x: AAAAAICEHgA=
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formula: Be Cu
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formula_title: BeCu
a: 2.698
b: 2.698
c: 2.698
alpha: 90
beta: 90
gamma: 90
cell_volume: 19.639
crystal_density: 6.135
atoms_sites: ["Be", "Cu"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Be Pd
compound: <missing>
formula_title: BePd
a: 2.813
b: 2.813
c: 2.813
alpha: 90
beta: 90
gamma: 90
cell_volume: 22.259
crystal_density: 8.611
atoms_sites: ["Be", "Pd"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Ca Tl
compound: <missing>
formula_title: CaTl
a: 3.847
b: 3.847
c: 3.847
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.933
crystal_density: 7.130
atoms_sites: ["Ca", "Tl"]
atoms_x: AAAAAICEHgA=
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formula: Cd Ce
compound: <missing>
formula_title: CdCe
a: 3.86
b: 3.86
c: 3.86
alpha: 90
beta: 90
gamma: 90
cell_volume: 57.512
crystal_density: 7.291
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atoms_x: AAAAAICEHgA=
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qdat:
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formula: Cd La
compound: <missing>
formula_title: CdLa
a: 3.90
b: 3.90
c: 3.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 59.319
crystal_density: 7.035
atoms_sites: ["Cd", "La"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Cd Pr
compound: <missing>
formula_title: CdPr
a: 3.82
b: 3.82
c: 3.82
alpha: 90
beta: 90
gamma: 90
cell_volume: 55.743
crystal_density: 7.546
atoms_sites: ["Cd", "Pr"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Cu Pd
compound: <missing>
formula_title: <missing>
a: 2.988
b: 2.988
c: 2.988
alpha: 90
beta: 90
gamma: 90
cell_volume: 26.677
crystal_density: 10.580
atoms_sites: ["Cu", "Pd"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Cu Zn
compound: <missing>
formula_title: CuZn
a: 2.945
b: 2.945
c: 2.945
alpha: 90
beta: 90
gamma: 90
cell_volume: 25.542
crystal_density: 8.382
atoms_sites: ["Cu", "Zn"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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qdat:
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formula: Li Ag
compound: <missing>
formula_title: LiAg
a: 3.168
b: 3.168
c: 3.168
alpha: 90
beta: 90
gamma: 90
cell_volume: 31.795
crystal_density: 5.996
atoms_sites: ["Li", "Ag"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Li Hg
compound: <missing>
formula_title: LiHg
a: 3.287
b: 3.287
c: 3.287
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.514
crystal_density: 9.704
atoms_sites: ["Li", "Hg"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
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qdat:
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formula: Li Tl
compound: <missing>
formula_title: LiTl
a: 3.424
b: 3.424
c: 3.424
alpha: 90
beta: 90
gamma: 90
cell_volume: 40.142
crystal_density: 8.742
atoms_sites: ["Li", "Tl"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Mg Ce
compound: <missing>
formula_title: MgCe
a: 3.898
b: 3.898
c: 3.898
alpha: 90
beta: 90
gamma: 90
cell_volume: 59.228
crystal_density: 4.610
atoms_sites: ["Mg", "Ce"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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qdat:
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formula: Mg Hg
compound: <missing>
formula_title: MgHg
a: 3.44
b: 3.44
c: 3.44
alpha: 90
beta: 90
gamma: 90
cell_volume: 40.708
crystal_density: 9.174
atoms_sites: ["Mg", "Hg"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
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qdat:
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formula: Mg La
compound: <missing>
formula_title: MgLa
a: 3.965
b: 3.965
c: 3.965
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.335
crystal_density: 4.348
atoms_sites: ["Mg", "La"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Mg Pr
compound: <missing>
formula_title: MgPr
a: 3.88
b: 3.88
c: 3.88
alpha: 90
beta: 90
gamma: 90
cell_volume: 58.411
crystal_density: 4.697
atoms_sites: ["Mg", "Pr"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Mg Tl
compound: <missing>
formula_title: MgTl
a: 3.628
b: 3.628
c: 3.628
alpha: 90
beta: 90
gamma: 90
cell_volume: 47.753
crystal_density: 7.952
atoms_sites: ["Mg", "Tl"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Sr Tl
compound: <missing>
formula_title: SrTl
a: 4.024
b: 4.024
c: 4.024
alpha: 90
beta: 90
gamma: 90
cell_volume: 65.159
crystal_density: 7.442
atoms_sites: ["Sr", "Tl"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Tl Br
compound: <missing>
formula_title: TlBr
a: 3.98
b: 3.98
c: 3.98
alpha: 90
beta: 90
gamma: 90
cell_volume: 63.045
crystal_density: 7.488
atoms_sites: ["Tl", "Br"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
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qdat:
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formula: Zn Ce
compound: <missing>
formula_title: ZnCe
a: 3.70
b: 3.70
c: 3.70
alpha: 90
beta: 90
gamma: 90
cell_volume: 50.653
crystal_density: 6.737
atoms_sites: ["Zn", "Ce"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Zn La
compound: <missing>
formula_title: ZnLa
a: 3.75
b: 3.75
c: 3.75
alpha: 90
beta: 90
gamma: 90
cell_volume: 52.734
crystal_density: 6.433
atoms_sites: ["Zn", "La"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Zn Pr
compound: <missing>
formula_title: ZnPr
a: 3.67
b: 3.67
c: 3.67
alpha: 90
beta: 90
gamma: 90
cell_volume: 49.431
crystal_density: 6.930
atoms_sites: ["Zn", "Pr"]
atoms_x: AAAAAICEHgA=
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qdat:
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formula: Ag I
compound: <missing>
formula_title: AgI
a: 6.473
b: 6.473
c: 6.473
alpha: 90
beta: 90
gamma: 90
cell_volume: 271.217
crystal_density: 5.750
atoms_sites: ["Ag", "I"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
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pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: ZnS structure, sphalerite structure

qdat:
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formula: Al As
compound: <missing>
formula_title: AlAs
a: 5.62
b: 5.62
c: 5.62
alpha: 90
beta: 90
gamma: 90
cell_volume: 177.504
crystal_density: 3.813
atoms_sites: ["Al", "As"]
atoms_x: AAAAAEBCDwA=
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pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: ZnS structure, sphalerite structure

qdat:
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formula: Al P
compound: <missing>
formula_title: AlP
a: 5.451
b: 5.451
c: 5.451
alpha: 90
beta: 90
gamma: 90
cell_volume: 161.968
crystal_density: 2.377
atoms_sites: ["Al", "P"]
atoms_x: AAAAAEBCDwA=
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pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: ZnS structure, sphalerite structure

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pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
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pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
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pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
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gamma: 120
cell_volume: 27.611
crystal_density: 3.008
atoms_sites: ["Be", "O"]
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formula: Cd S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 4.1348
b: 4.1348
c: 6.7490
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.926
crystal_density: 4.802
atoms_sites: ["Cd", "S"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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formula: Cd Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 4.30
b: 4.30
c: 7.02
alpha: 90
beta: 90
gamma: 120
cell_volume: 112.410
crystal_density: 5.654
atoms_sites: ["Cd", "Se"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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formula: Cu Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: CuBr
a: 4.06
b: 4.06
c: 6.66
alpha: 90
beta: 90
gamma: 120
cell_volume: 95.073
crystal_density: 5.011
atoms_sites: ["Cu", "Br"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Cu Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: CuCl
a: 3.91
b: 3.91
c: 6.42
alpha: 90
beta: 90
gamma: 120
cell_volume: 85.000
crystal_density: 3.868
atoms_sites: ["Cu", "Cl"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
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qdat:
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formula: Cu H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: CuH
a: 2.893
b: 2.893
c: 4.614
alpha: 90
beta: 90
gamma: 120
cell_volume: 33.443
crystal_density: 6.411
atoms_sites: ["Cu", "H"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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qdat:
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formula: Cu I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: CuI
a: 4.31
b: 4.31
c: 7.09
alpha: 90
beta: 90
gamma: 120
cell_volume: 114.059
crystal_density: 5.545
atoms_sites: ["Cu", "I"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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qdat:
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formula: Ga N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: GaN
a: 3.180
b: 3.180
c: 5.166
alpha: 90
beta: 90
gamma: 120
cell_volume: 45.242
crystal_density: 6.146
atoms_sites: ["Ga", "N"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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qdat:
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formula: In N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: InN
a: 3.533
b: 3.533
c: 5.693
alpha: 90
beta: 90
gamma: 120
cell_volume: 61.540
crystal_density: 6.952
atoms_sites: ["In", "N"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
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qdat:
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formula: Mg Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: MgTe
a: 4.52
b: 4.52
c: 7.33
alpha: 90
beta: 90
gamma: 120
cell_volume: 129.691
crystal_density: 3.890
atoms_sites: ["Mg", "Te"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Mn S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 3.976
b: 3.976
c: 6.432
alpha: 90
beta: 90
gamma: 120
cell_volume: 88.058
crystal_density: 3.281
atoms_sites: ["Mn", "S"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
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qdat:
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formula: Mn Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: MnSe
a: 4.12
b: 4.12
c: 6.72
alpha: 90
beta: 90
gamma: 120
cell_volume: 98.786
crystal_density: 4.502
atoms_sites: ["Mn", "Se"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
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qdat:
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formula: Mn Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: MnTe
a: 4.087
b: 4.087
c: 6.701
alpha: 90
beta: 90
gamma: 120
cell_volume: 96.935
crystal_density: 6.254
atoms_sites: ["Mn", "Te"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
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qdat:
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formula: Nb N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: NbN
a: 3.017
b: 3.017
c: 5.580
alpha: 90
beta: 90
gamma: 120
cell_volume: 43.986
crystal_density: 8.072
atoms_sites: ["Nb", "N"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
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qdat:
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formula: Si C
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 3.076
b: 3.076
c: 5.048
alpha: 90
beta: 90
gamma: 120
cell_volume: 41.364
crystal_density: 3.219
atoms_sites: ["Si", "C"]
atoms_x: VVgUAFVYFAA=
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atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Ta N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: TaN
a: 3.05
b: 3.05
c: 4.94
alpha: 90
beta: 90
gamma: 120
cell_volume: 39.798
crystal_density: 16.269
atoms_sites: ["Ta", "N"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
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qdat:
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formula: Zn O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 3.24950
b: 3.24950
c: 5.2069
alpha: 90
beta: 90
gamma: 120
cell_volume: 47.615
crystal_density: 5.677
atoms_sites: ["Zn", "O"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKAOFQA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Zn S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: <missing>
a: 3.811
b: 3.811
c: 6.234
alpha: 90
beta: 90
gamma: 120
cell_volume: 78.411
crystal_density: 4.128
atoms_sites: ["Zn", "S"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Zn Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: ZnSe
a: 3.98
b: 3.98
c: 6.53
alpha: 90
beta: 90
gamma: 120
cell_volume: 89.580
crystal_density: 5.352
atoms_sites: ["Zn", "Se"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Zn Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: wurtzite structure
formula_title: ZnTe
a: 4.27
b: 4.27
c: 6.99
alpha: 90
beta: 90
gamma: 120
cell_volume: 110.373
crystal_density: 5.807
atoms_sites: ["Zn", "Te"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAKB/FwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cd Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CdSb
a: 6.471
b: 8.253
c: 8.526
alpha: 90
beta: 90
gamma: 90
cell_volume: 455.332
crystal_density: 6.832
atoms_sites: ["Cd", "Sb"]
atoms_x: ANUbAABNCAA=
atoms_y: YEMHAABlBAA=
atoms_z: ADD4/4CXBgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Zn Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ZnSb
a: 6.218
b: 7.741
c: 8.115
alpha: 90
beta: 90
gamma: 90
cell_volume: 390.604
crystal_density: 6.365
atoms_sites: ["Zn", "Sb"]
atoms_x: MLQbAMCqCAA=
atoms_y: MM4GABAiBQA=
atoms_z: kOb3/zCcBgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Au Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.314
b: 4.314
c: 5.512
alpha: 90
beta: 90
gamma: 120
cell_volume: 88.838
crystal_density: 11.801
atoms_sites: ["Au", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.367
b: 3.367
c: 5.160
alpha: 90
beta: 90
gamma: 120
cell_volume: 50.660
crystal_density: 5.966
atoms_sites: ["Co", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Co Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CoSb
a: 3.866
b: 3.866
c: 5.188
alpha: 90
beta: 90
gamma: 120
cell_volume: 67.151
crystal_density: 8.936
atoms_sites: ["Co", "Sb"]
atoms_x: AAAAAFVYFAA=
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atoms_z: AAAAAEBCDwA=
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formula: Co Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.6294
b: 3.6294
c: 5.3006
alpha: 90
beta: 90
gamma: 120
cell_volume: 60.468
crystal_density: 7.573
atoms_sites: ["Co", "Se"]
atoms_x: AAAAAFVYFAA=
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atoms_z: AAAAAEBCDwA=
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formula: Co Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CoTe
a: 3.886
b: 3.886
c: 5.360
alpha: 90
beta: 90
gamma: 120
cell_volume: 70.097
crystal_density: 8.838
atoms_sites: ["Co", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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formula: Cr S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CrS
a: 3.448
b: 3.448
c: 5.754
alpha: 90
beta: 90
gamma: 120
cell_volume: 59.243
crystal_density: 4.712
atoms_sites: ["Cr", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_aniso_label: "<missing>"
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formula: Cr Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CrSb
a: 4.108
b: 4.108
c: 5.440
alpha: 90
beta: 90
gamma: 120
cell_volume: 79.504
crystal_density: 7.258
atoms_sites: ["Cr", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Cr Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CrSe
a: 3.684
b: 3.684
c: 6.019
alpha: 90
beta: 90
gamma: 120
cell_volume: 70.745
crystal_density: 6.148
atoms_sites: ["Cr", "Se"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Cr Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: CrTe
a: 3.981
b: 3.981
c: 6.211
alpha: 90
beta: 90
gamma: 120
cell_volume: 85.246
crystal_density: 6.997
atoms_sites: ["Cr", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Cu Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.190
b: 4.190
c: 5.086
alpha: 90
beta: 90
gamma: 120
cell_volume: 77.328
crystal_density: 7.828
atoms_sites: ["Cu", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Fe S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: FeS
a: 3.43
b: 3.43
c: 5.68
alpha: 90
beta: 90
gamma: 120
cell_volume: 57.872
crystal_density: 5.045
atoms_sites: ["Fe", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Fe Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: FeSb
a: 4.06
b: 4.06
c: 5.13
alpha: 90
beta: 90
gamma: 120
cell_volume: 73.232
crystal_density: 8.054
atoms_sites: ["Fe", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Fe Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.637
b: 3.637
c: 5.958
alpha: 90
beta: 90
gamma: 120
cell_volume: 68.252
crystal_density: 6.560
atoms_sites: ["Fe", "Se"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Fe Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: FeTe
a: 3.800
b: 3.800
c: 5.651
alpha: 90
beta: 90
gamma: 120
cell_volume: 70.668
crystal_density: 8.621
atoms_sites: ["Fe", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Ir Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: IrTe
a: 3.939
b: 3.939
c: 5.386
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.372
crystal_density: 14.676
atoms_sites: ["Ir", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Mn As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: MnAs
a: 3.710
b: 3.710
c: 5.691
alpha: 90
beta: 90
gamma: 120
cell_volume: 67.837
crystal_density: 6.357
atoms_sites: ["Mn", "As"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Mn Bi
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: MnBi
a: 4.30
b: 4.30
c: 6.12
alpha: 90
beta: 90
gamma: 120
cell_volume: 97.998
crystal_density: 8.944
atoms_sites: ["Mn", "Bi"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Mn Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: MnSb
a: 4.120
b: 4.120
c: 5.784
alpha: 90
beta: 90
gamma: 120
cell_volume: 85.026
crystal_density: 6.901
atoms_sites: ["Mn", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Mn Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: MnTe
a: 4.1429
b: 4.1429
c: 6.7031
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.636
crystal_density: 6.084
atoms_sites: ["Mn", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Ni As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.602
b: 3.602
c: 5.009
alpha: 90
beta: 90
gamma: 120
cell_volume: 56.282
crystal_density: 7.884
atoms_sites: ["Ni", "As"]
atoms_x: AAAAAFVYFAA=
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qdat:
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formula: Ni Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.94
b: 3.94
c: 5.14
alpha: 90
beta: 90
gamma: 120
cell_volume: 69.101
crystal_density: 8.672
atoms_sites: ["Ni", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Ni Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.6613
b: 3.6613
c: 5.3562
alpha: 90
beta: 90
gamma: 120
cell_volume: 62.181
crystal_density: 7.352
atoms_sites: ["Ni", "Se"]
atoms_x: AAAAAFVYFAA=
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atoms_z: AAAAAEBCDwA=
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qdat:
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formula: Ni Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: NiSn
a: 4.048
b: 4.048
c: 5.123
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.700
crystal_density: 8.104
atoms_sites: ["Ni", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ni Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 3.957
b: 3.957
c: 5.354
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.601
crystal_density: 8.522
atoms_sites: ["Ni", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Pd Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.070
b: 4.070
c: 5.582
alpha: 90
beta: 90
gamma: 120
cell_volume: 80.077
crystal_density: 9.463
atoms_sites: ["Pd", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Pd Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: PdSn
a: 4.378
b: 4.378
c: 5.627
alpha: 90
beta: 90
gamma: 120
cell_volume: 93.403
crystal_density: 8.005
atoms_sites: ["Pd", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_aniso_label: "<missing>"
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qdat:
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formula: Pd Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.1521
b: 4.1521
c: 5.6719
alpha: 90
beta: 90
gamma: 120
cell_volume: 84.683
crystal_density: 9.178
atoms_sites: ["Pd", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_u_iso: 0
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formula: Pt B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: PtB
a: 3.358
b: 3.358
c: 4.058
alpha: 90
beta: 90
gamma: 120
cell_volume: 39.628
crystal_density: 17.255
atoms_sites: ["Pt", "B"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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qdat:
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formula: Pt Bi
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: PtBi
a: 4.315
b: 4.315
c: 5.490
alpha: 90
beta: 90
gamma: 120
cell_volume: 88.525
crystal_density: 15.159
atoms_sites: ["Pt", "Bi"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Pt Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.130
b: 4.130
c: 5.472
alpha: 90
beta: 90
gamma: 120
cell_volume: 80.831
crystal_density: 13.018
atoms_sites: ["Pt", "Sb"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
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atoms_aniso_u23: 0
qdat:
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formula: Pt Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: <missing>
a: 4.103
b: 4.103
c: 5.428
alpha: 90
beta: 90
gamma: 120
cell_volume: 79.136
crystal_density: 13.169
atoms_sites: ["Pt", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rh Bi
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: RhBi
a: 4.094
b: 4.094
c: 5.663
alpha: 90
beta: 90
gamma: 120
cell_volume: 82.200
crystal_density: 12.601
atoms_sites: ["Rh", "Bi"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rh Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: RhSn
a: 4.340
b: 4.340
c: 5.555
alpha: 90
beta: 90
gamma: 120
cell_volume: 90.614
crystal_density: 8.122
atoms_sites: ["Rh", "Sn"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Rh Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: RhTe
a: 3.99
b: 3.99
c: 5.66
alpha: 90
beta: 90
gamma: 120
cell_volume: 78.036
crystal_density: 9.810
atoms_sites: ["Rh", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Sc Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: ScTe
a: 4.122
b: 4.122
c: 6.735
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.102
crystal_density: 5.783
atoms_sites: ["Sc", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Ti S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: TiS
a: 3.30
b: 3.30
c: 6.44
alpha: 90
beta: 90
gamma: 120
cell_volume: 60.736
crystal_density: 4.372
atoms_sites: ["Ti", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Ti Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: TiSe
a: 3.559
b: 3.559
c: 6.220
alpha: 90
beta: 90
gamma: 120
cell_volume: 68.230
crystal_density: 6.174
atoms_sites: ["Ti", "Se"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Ti Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: TiTe
a: 3.834
b: 3.834
c: 6.390
alpha: 90
beta: 90
gamma: 120
cell_volume: 81.346
crystal_density: 7.164
atoms_sites: ["Ti", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: V P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: VP
a: 3.18
b: 3.18
c: 6.22
alpha: 90
beta: 90
gamma: 120
cell_volume: 54.472
crystal_density: 4.994
atoms_sites: ["V", "P"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: V S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: VS
a: 3.360
b: 3.360
c: 5.813
alpha: 90
beta: 90
gamma: 120
cell_volume: 56.834
crystal_density: 4.851
atoms_sites: ["V", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: V Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: VSe
a: 3.580
b: 3.580
c: 5.977
alpha: 90
beta: 90
gamma: 120
cell_volume: 66.341
crystal_density: 6.503
atoms_sites: ["V", "Se"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: V Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: VTe
a: 3.942
b: 3.942
c: 6.126
alpha: 90
beta: 90
gamma: 120
cell_volume: 82.441
crystal_density: 7.192
atoms_sites: ["V", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zr Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: ideal nickel arsenide structure
formula_title: ZrTe
a: 3.953
b: 3.953
c: 6.647
alpha: 90
beta: 90
gamma: 120
cell_volume: 89.952
crystal_density: 8.079
atoms_sites: ["Zr", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u23: 0
qdat:
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formula: Au Ga
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: AuGa
a: 6.397
b: 6.267
c: 3.421
alpha: 90
beta: 90
gamma: 90
cell_volume: 137.148
crystal_density: 12.916
atoms_sites: ["Au", "Ga"]
atoms_x: ADsLAMACJAA=
atoms_y: QJwAAODmCwA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
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atoms_aniso_u23: 0
qdat:
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formula: Co As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: Modderite
a: 5.869
b: 5.292
c: 3.458
alpha: 90
beta: 90
gamma: 90
cell_volume: 107.401
crystal_density: 8.278
atoms_sites: ["Co", "As"]
atoms_x: QEIPAACfJAA=
atoms_y: AAAAAEBCDwA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: CoP
a: 5.599
b: 5.076
c: 3.281
alpha: 90
beta: 90
gamma: 90
cell_volume: 93.248
crystal_density: 6.404
atoms_sites: ["Co", "P"]
atoms_x: ADUMAEDKIgA=
atoms_y: IE4AAMCYCwA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cr As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: CrAs
a: 6.222
b: 5.741
c: 3.486
alpha: 90
beta: 90
gamma: 90
cell_volume: 124.522
crystal_density: 6.770
atoms_sites: ["Cr", "As"]
atoms_x: wJgLAIBmIwA=
atoms_y: QJwAAAA1DAA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cr P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: CrP
a: 5.94
b: 5.366
c: 3.13
alpha: 90
beta: 90
gamma: 90
cell_volume: 99.766
crystal_density: 5.524
atoms_sites: ["Cr", "P"]
atoms_x: AMQJAMBzJgA=
atoms_y: AAAAAAA1DAA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: Westerveldite
a: 6.028
b: 5.439
c: 3.373
alpha: 90
beta: 90
gamma: 90
cell_volume: 110.588
crystal_density: 7.854
atoms_sites: ["Fe", "As"]
atoms_x: wJgLAIBmIwA=
atoms_y: QJwAAAA1DAA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: FeP
a: 5.793
b: 5.187
c: 3.093
alpha: 90
beta: 90
gamma: 90
cell_volume: 92.939
crystal_density: 6.205
atoms_sites: ["Fe", "P"]
atoms_x: ADUMAEDKIgA=
atoms_y: IE4AAMCYCwA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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formula: Ir Ge
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: IrGe
a: 6.281
b: 5.611
c: 3.490
alpha: 90
beta: 90
gamma: 90
cell_volume: 122.997
crystal_density: 14.302
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formula: Mn P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: MnP
a: 5.916
b: 5.260
c: 3.173
alpha: 90
beta: 90
gamma: 90
cell_volume: 98.738
crystal_density: 5.779
atoms_sites: ["Mn", "P"]
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formula: Ni Ge
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: NiGe
a: 5.811
b: 5.381
c: 3.428
alpha: 90
beta: 90
gamma: 90
cell_volume: 107.190
crystal_density: 8.136
atoms_sites: ["Ni", "Ge"]
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formula: Pd Ge
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: PdGe
a: 6.259
b: 5.782
c: 3.481
alpha: 90
beta: 90
gamma: 90
cell_volume: 125.976
crystal_density: 9.439
atoms_sites: ["Pd", "Ge"]
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formula: Pd Si
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: PdSi
a: 6.133
b: 5.599
c: 3.381
alpha: 90
beta: 90
gamma: 90
cell_volume: 116.099
crystal_density: 7.695
atoms_sites: ["Pd", "Si"]
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formula: Pd Sn
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: PdSn
a: 6.32
b: 6.13
c: 3.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 149.930
crystal_density: 9.974
atoms_sites: ["Pd", "Sn"]
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formula: Pt Ge
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: PtGe
a: 6.088
b: 5.732
c: 3.701
alpha: 90
beta: 90
gamma: 90
cell_volume: 129.152
crystal_density: 13.767
atoms_sites: ["Pt", "Ge"]
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formula: Pt Si
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: PtSi
a: 5.932
b: 5.595
c: 3.603
alpha: 90
beta: 90
gamma: 90
cell_volume: 119.582
crystal_density: 12.396
atoms_sites: ["Pt", "Si"]
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formula: Rh Ge
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: RhGe
a: 6.48
b: 5.70
c: 3.25
alpha: 90
beta: 90
gamma: 90
cell_volume: 120.042
crystal_density: 9.712
atoms_sites: ["Rh", "Ge"]
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formula: Rh Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: RhSb
a: 6.333
b: 5.952
c: 3.876
alpha: 90
beta: 90
gamma: 90
cell_volume: 146.102
crystal_density: 10.213
atoms_sites: ["Rh", "Sb"]
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formula: W P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure
formula_title: WP
a: 6.219
b: 5.717
c: 3.238
alpha: 90
beta: 90
gamma: 90
cell_volume: 115.124
crystal_density: 12.394
atoms_sites: ["W", "P"]
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formula: Co B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CoB
a: 3.948
b: 5.243
c: 3.037
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.864
crystal_density: 7.369
atoms_sites: ["Co", "B"]
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formula: Ti B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: TiB
a: 4.56
b: 6.12
c: 3.06
alpha: 90
beta: 90
gamma: 90
cell_volume: 85.396
crystal_density: 4.565
atoms_sites: ["Ti", "B"]
atoms_x: 4IEHAODNJAA=
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formula: Ni B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: NiB
a: 2.925
b: 7.396
c: 2.966
alpha: 90
beta: 90
gamma: 90
cell_volume: 64.164
crystal_density: 7.195
atoms_sites: ["Ni", "B"]
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formula: Cr B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CrB
a: 2.969
b: 7.858
c: 2.932
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.405
crystal_density: 6.099
atoms_sites: ["Cr", "B"]
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formula: Li As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: LiAs
a: 5.79
b: 5.24
c: 10.70
alpha: 90
beta: 117.40
gamma: 90
cell_volume: 288.215
crystal_density: 3.773
atoms_sites: ["Li1", "Li2", "As1", "As2"]
atoms_x: 4FcOAAApDgAgkRIAMKURAA==
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atoms_z: oBQUACC/AgAAQxIAsCsGAA==
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qdat:
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formula: Na Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: NaSb
a: 6.80
b: 6.34
c: 12.48
alpha: 90
beta: 117.60
gamma: 90
cell_volume: 476.811
crystal_density: 4.033
atoms_sites: ["Na1", "Na2", "Sb1", "Sb2"]
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atoms_z: sNcTABB/AgCgBxIAMGoGAA==
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formula: K Sb
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: KSb
a: 7.18
b: 6.97
c: 13.40
alpha: 90
beta: 115.10
gamma: 90
cell_volume: 607.272
crystal_density: 3.519
atoms_sites: ["K1", "K2", "Sb1", "Sb2"]
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atoms_z: QCQUAAD0AQBghBEAgJEHAA==
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formula: Tl Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: TlSe
a: 8.02
b: 8.02
c: 7.00
alpha: 90
beta: 90
gamma: 90
cell_volume: 450.243
crystal_density: 8.360
atoms_sites: ["Tl1", "Tl2", "Se"]
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atoms_z: QEIPAEBCDwAAAAAA
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formula: Mo B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: MoB
a: 3.105
b: 3.105
c: 16.97
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.608
crystal_density: 8.668
atoms_sites: ["Mo", "B"]
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atoms_aniso_label: "<missing>"
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qdat:
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formula: W B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: WB
a: 3.115
b: 3.115
c: 16.93
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.276
crystal_density: 15.741
atoms_sites: ["W", "B"]
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qdat:
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formula: Pb O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Sample known as red plumbous oxide
formula_title: PbO
a: 3.975
b: 3.975
c: 5.023
alpha: 90
beta: 90
gamma: 90
cell_volume: 79.367
crystal_density: 9.340
atoms_sites: ["Pb", "O"]
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qdat:
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formula: Sn O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: SnO
a: 3.802
b: 3.802
c: 4.836
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.905
crystal_density: 6.400
atoms_sites: ["Sn", "O"]
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atoms_aniso_u22: 0
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formula: Bi In
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: InBi
a: 5.005
b: 5.005
c: 4.771
alpha: 90
beta: 90
gamma: 90
cell_volume: 119.514
crystal_density: 8.998
atoms_sites: ["Bi", "In"]
atoms_x: AAAAAAAAAAA=
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atoms_z: oPwXAAAAAAA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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formula: O H Li
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: LiOH
a: 3.546
b: 3.546
c: 4.334
alpha: 90
beta: 90
gamma: 90
cell_volume: 54.496
crystal_density: 1.459
atoms_sites: ["O", "H", "Li"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAICEHgAAAAAA
atoms_z: 0NgLAIDaGAAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Zr S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ZrS
a: 3.55
b: 3.55
c: 6.31
alpha: 90
beta: 90
gamma: 90
cell_volume: 79.522
crystal_density: 5.149
atoms_sites: ["Zr", "S"]
atoms_x: AAAAAAAAAAA=
atoms_y: gIQeAICEHgA=
atoms_z: wJgLAEAdKgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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qdat:
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formula: Pb O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Sample known as yellow plumbous oxide
formula_title: PbO
a: 5.891
b: 4.775
c: 5.489
alpha: 90
beta: 90
gamma: 90
cell_volume: 154.403
crystal_density: 9.602
atoms_sites: ["Pb", "O"]
atoms_x: ALv+/2BoBQA=
atoms_y: QEIPAEBCDwA=
atoms_z: 0BcOALAC+P8=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Cu O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.653
b: 3.410
c: 5.108
alpha: 90
beta: 99.48
gamma: 90
cell_volume: 79.940
crystal_density: 6.609
atoms_sites: ["Cu", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAABb3P8=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ag O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: AgO
a: 5.852
b: 3.478
c: 5.495
alpha: 90
beta: 107.50
gamma: 90
cell_volume: 106.665
crystal_density: 7.713
atoms_sites: ["Ag1", "Ag2", "O"]
atoms_x: AAAAAICEHgBgARIA
atoms_y: AAAAAAAAAADAXBUA
atoms_z: AAAAAICEHgDACQ4A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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qdat:
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formula: Pd S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PdS
a: 6.4287
b: 6.4287
c: 6.6082
alpha: 90
beta: 90
gamma: 90
cell_volume: 273.105
crystal_density: 6.736
atoms_sites: ["Pd1", "Pd2", "Pd3", "S"]
atoms_x: AAAAAAAAAAAATB0AwJgLAA==
atoms_y: AAAAAICEHgBAQg8AAIgTAA==
atoms_z: QEIPAAAAAACAhB4AwAkOAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
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qdat:
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formula: Pd S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PdSe
a: 6.72
b: 6.72
c: 6.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 311.593
crystal_density: 5.904
atoms_sites: ["Pd1", "Pd2", "Pd3", "S"]
atoms_x: AAAAAAAAAABgxRsAADUMAA==
atoms_y: AAAAAICEHgDgVw4AINYTAA==
atoms_z: QEIPAAAAAACAhB4AwAkOAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ga S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: GaS
a: 3.585
b: 3.585
c: 15.50
alpha: 90
beta: 90
gamma: 120
cell_volume: 172.520
crystal_density: 3.919
atoms_sites: ["Ga", "S"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: QGAKAACfJAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: In Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: InSe
a: 4.05
b: 4.05
c: 16.93
alpha: 90
beta: 90
gamma: 120
cell_volume: 240.490
crystal_density: 5.352
atoms_sites: ["In", "Se"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: IJUJAEC+JAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
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qdat:
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formula: Ga Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: GaSe
a: 3.742
b: 3.742
c: 15.919
alpha: 90
beta: 90
gamma: 120
cell_volume: 193.043
crystal_density: 5.116
atoms_sites: ["Ga", "Se"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: oM0KAACfJAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u13: 0
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qdat:
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formula: Ti P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: TiP
a: 3.513
b: 3.513
c: 11.75
alpha: 90
beta: 90
gamma: 120
cell_volume: 125.581
crystal_density: 4.171
atoms_sites: ["Ti", "P1", "P2"]
atoms_x: VVgUAAAAAACrsCgA
atoms_y: q7AoAAAAAABVWBQA
atoms_z: IKEHAAAAAABAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Zr As
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ZrAs
a: 3.804
b: 3.804
c: 12.867
alpha: 90
beta: 90
gamma: 120
cell_volume: 161.246
crystal_density: 6.844
atoms_sites: ["Zr", "As1", "As2"]
atoms_x: VVgUAAAAAACrsCgA
atoms_y: q7AoAAAAAABVWBQA
atoms_z: ICQHAAAAAABAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ti2 C S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Ti2CS
a: 3.210
b: 3.210
c: 11.20
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.944
crystal_density: 4.647
atoms_sites: ["Ti", "C", "S"]
atoms_x: VVgUAAAAAACrsCgA
atoms_y: q7AoAAAAAABVWBQA
atoms_z: 4AoGAAAAAABAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zr2 C S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Zr2CS
a: 3.396
b: 3.396
c: 12.11
alpha: 90
beta: 90
gamma: 120
cell_volume: 120.951
crystal_density: 6.220
atoms_sites: ["Zr", "C", "S"]
atoms_x: VVgUAAAAAACrsCgA
atoms_y: q7AoAAAAAABVWBQA
atoms_z: 4AoGAAAAAABAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Nb P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: beta form
formula_title: NbP
a: 3.325
b: 3.325
c: 11.38
alpha: 90
beta: 90
gamma: 90
cell_volume: 125.813
crystal_density: 6.540
atoms_sites: ["Nb", "P"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ta P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: beta form
formula_title: TaP
a: 3.330
b: 3.330
c: 11.39
alpha: 90
beta: 90
gamma: 90
cell_volume: 126.303
crystal_density: 11.145
atoms_sites: ["Ta", "P"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ta N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: TaN
a: 5.191
b: 5.191
c: 2.908
alpha: 90
beta: 90
gamma: 120
cell_volume: 67.862
crystal_density: 14.311
atoms_sites: ["Ta1", "Ta2", "N"]
atoms_x: AAAAAFVYFACAhB4A
atoms_y: AAAAAKuwKAAAAAAA
atoms_z: AAAAAICEHgAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ti O.5
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Ti2O
a: 4.991
b: 4.991
c: 2.879
alpha: 90
beta: 90
gamma: 120
cell_volume: 62.108
crystal_density: 4.482
atoms_sites: ["Ti1", "Ti2", "O"]
atoms_x: AAAAAFVYFACAhB4A
atoms_y: AAAAAKuwKAAAAAAA
atoms_z: AAAAAICEHgAAAAAA
atoms_occupancy: AAk9AAAJPQCAhB4A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Hg F
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Hg2F2
a: 3.66
b: 3.66
c: 10.9
alpha: 90
beta: 90
gamma: 90
cell_volume: 146.012
crystal_density: 9.989
atoms_sites: ["Hg", "F"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: YMYGAOC2EwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Hg Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.478
b: 4.478
c: 10.91
alpha: 90
beta: 90
gamma: 90
cell_volume: 218.773
crystal_density: 7.166
atoms_sites: ["Hg", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: gBQHAOAtFQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Hg Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.65
b: 4.65
c: 11.10
alpha: 90
beta: 90
gamma: 90
cell_volume: 240.010
crystal_density: 7.763
atoms_sites: ["Hg", "Br"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: gBQHAOAtFQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Hg I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Hg2I2
a: 4.933
b: 4.933
c: 11.633
alpha: 90
beta: 90
gamma: 90
cell_volume: 283.083
crystal_density: 7.684
atoms_sites: ["Hg", "I"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: gBQHAOAtFQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Tl I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: TlI
a: 4.582
b: 12.92
c: 5.251
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.856
crystal_density: 7.079
atoms_sites: ["Tl", "I"]
atoms_x: AAAAAAAAAAA=
atoms_y: AO0XANAiCAA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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formula: In Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: InBr
a: 4.46
b: 12.39
c: 4.73
alpha: 90
beta: 90
gamma: 90
cell_volume: 261.377
crystal_density: 4.948
atoms_sites: ["In", "Br"]
atoms_x: AAAAAAAAAAA=
atoms_y: QI8XAADECQA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: In I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: InI
a: 4.75
b: 12.76
c: 4.91
alpha: 90
beta: 90
gamma: 90
cell_volume: 297.595
crystal_density: 5.395
atoms_sites: ["In", "I"]
atoms_x: AAAAAAAAAAA=
atoms_y: wEoYAKDZCAA=
atoms_z: QEIPAEBCDwA=
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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formula: Li C N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Lithium cyanide
formula_title: LiCN
a: 6.52
b: 8.73
c: 3.73
alpha: 90
beta: 90
gamma: 90
cell_volume: 212.310
crystal_density: 1.031
atoms_sites: ["Li", "C", "N"]
atoms_x: YL8cACDuDwDAqggA
atoms_y: wNMWAMCYCwDAvAUA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ca Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CaCl
a: 3.851
b: 3.851
c: 6.861
alpha: 90
beta: 90
gamma: 90
cell_volume: 101.750
crystal_density: 2.465
atoms_sites: ["Ca", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: gIQeAICEHgA=
atoms_z: QOkIAGBrKgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: AuI
a: 4.35
b: 4.35
c: 13.73
alpha: 90
beta: 90
gamma: 90
cell_volume: 259.806
crystal_density: 8.280
atoms_sites: ["Au", "I"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAKBWCQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Li O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Lithium peroxide
formula_title: Li2O2
a: 3.142
b: 3.142
c: 7.650
alpha: 90
beta: 90
gamma: 120
cell_volume: 65.404
crystal_density: 2.330
atoms_sites: ["Li1", "Li2", "Li3", "O1", "O2"]
atoms_x: AAAAAFVYFACrsCgAAAAAAFVYFAA=
atoms_y: AAAAAKuwKABVWBQAAAAAAKuwKAA=
atoms_z: AAAAAICEHgBAQg8AoHkYAIAaBgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Sodium peroxide
formula_title: Na2O2
a: 6.208
b: 6.208
c: 4.460
alpha: 90
beta: 90
gamma: 120
cell_volume: 148.857
crystal_density: 2.610
atoms_sites: ["Na1", "Na2", "O1", "O2"]
atoms_x: YAESAACTJgAAAAAAVVgUAA==
atoms_y: AAAAAAAAAAAAAAAAq7AoAA==
atoms_z: AAAAAICEHgCAxSgAAEEKAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: K O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Potassium peroxide
formula_title: K2O2
a: 6.736
b: 7.001
c: 6.479
alpha: 90
beta: 90
gamma: 90
cell_volume: 305.541
crystal_density: 2.396
atoms_sites: ["K", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: AMQJAABfBQA=
atoms_z: QEIPAMABOQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rb O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rubidium peroxide
formula_title: Rb2O2
a: 4.201
b: 7.075
c: 5.983
alpha: 90
beta: 90
gamma: 90
cell_volume: 177.827
crystal_density: 3.790
atoms_sites: ["Rb", "O"]
atoms_x: AAAAAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: AAAAAGDjFgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cs O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Cesium peroxide
formula_title: Cs2O2
a: 4.322
b: 7.517
c: 6.430
alpha: 90
beta: 90
gamma: 90
cell_volume: 208.901
crystal_density: 4.735
atoms_sites: ["Cs", "O"]
atoms_x: AAAAAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: AAAAAIAxFwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: I Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Iodine monochloride
formula_title: ICl
a: 12.60
b: 4.38
c: 11.90
alpha: 90
beta: 119.50
gamma: 90
cell_volume: 571.595
crystal_density: 3.773
atoms_sites: ["I1", "I2", "Cl1", "Cl2"]
atoms_x: 4OwKAKAgEgCAIAUAwDIcAA==
atoms_y: wFYWAACTJgAARwkAQF40AA==
atoms_z: gOMjAICcGgBAFysAgNclAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: S N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: N4S4
a: 8.75
b: 7.16
c: 8.65
alpha: 90
beta: 87.50
gamma: 90
cell_volume: 541.407
crystal_density: 2.261
atoms_sites: ["S1", "S2", "S3", "S4", "N1", "N2", "N3", "N4"]
atoms_x: AA88AKDRMwCACAkAIMUBAOC6PABAnAAAYDEKAABFMwA=
atoms_y: gOI4AGBlKwAA1DAA4N8hAOCRLgDgGi0AQDslACCBNgA=
atoms_z: ABESAGBPBQDgFgQAgNgQAIDQOwBgYBcAAMQJAKDHCwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cl B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: B4Cl4
a: 8.09
b: 8.09
c: 5.45
alpha: 90
beta: 90
gamma: 90
cell_volume: 356.692
crystal_density: 1.723
atoms_sites: ["Cl", "B"]
atoms_x: AAAAAAAAAAA=
atoms_y: QNIQALBdBgA=
atoms_z: IIMMAJCjFwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: B N
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: BN
a: 2.50399
b: 2.50399
c: 6.6612
alpha: 90
beta: 90
gamma: 120
cell_volume: 36.170
crystal_density: 2.279
atoms_sites: ["B", "N"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: QEIPAMDGLQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Am O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: AmO2
a: 5.376
b: 5.376
c: 5.376
alpha: 90
beta: 90
gamma: 90
cell_volume: 155.374
crystal_density: 11.756
atoms_sites: ["Am", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au Al2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: AuAl2
a: 6.00
b: 6.00
c: 6.00
alpha: 90
beta: 90
gamma: 90
cell_volume: 216.000
crystal_density: 7.716
atoms_sites: ["Au", "Al"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au Ga2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: AuGa2
a: 6.063
b: 6.063
c: 6.063
alpha: 90
beta: 90
gamma: 90
cell_volume: 222.876
crystal_density: 10.026
atoms_sites: ["Au", "Ga"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au In2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: AuIn2
a: 6.502
b: 6.502
c: 6.502
alpha: 90
beta: 90
gamma: 90
cell_volume: 274.879
crystal_density: 10.309
atoms_sites: ["Au", "In"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au Sb2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: AuSb2
a: 6.656
b: 6.656
c: 6.656
alpha: 90
beta: 90
gamma: 90
cell_volume: 294.876
crystal_density: 9.922
atoms_sites: ["Au", "Sb"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ba Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: BaCl2
a: 7.34
b: 7.34
c: 7.34
alpha: 90
beta: 90
gamma: 90
cell_volume: 395.447
crystal_density: 3.498
atoms_sites: ["Ba", "Cl"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ba F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 6.2001
b: 6.2001
c: 6.2001
alpha: 90
beta: 90
gamma: 90
cell_volume: 238.340
crystal_density: 4.886
atoms_sites: ["Ba", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cd F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: CdF2
a: 5.3880
b: 5.3880
c: 5.3880
alpha: 90
beta: 90
gamma: 90
cell_volume: 156.417
crystal_density: 6.387
atoms_sites: ["Cd", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAABAAAAAAAAAAAAAAAAgAAAAAAAAEAAIAAAAAAAAACAAAAAACABAAAAAAAAQAAAAAgAAAAAAAAgAAAAgCAAAAABAAAAEBAAAAACAAABAQAAAAEAAAIAAAAAEAAAQIAAAAg==


formula: Ce H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: CeH2
a: 5.590
b: 5.590
c: 5.590
alpha: 90
beta: 90
gamma: 90
cell_volume: 174.677
crystal_density: 5.405
atoms_sites: ["Ce", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAEAAAAAAAAAAAAAAAgAAAAAAAAQABAAAAAAAAAAgAAAAACABAAAAAAABAAAAAIAAAAAAAAgAAABAIAAAAAEAAABAIAAAABAAACAgAAAAQAABAAAAABAAAIEAAAAgAAQIAA==


formula: Ce O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.4110
b: 5.4110
c: 5.4110
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.428
crystal_density: 7.216
atoms_sites: ["Ce", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAACAAAAAAAAAAAAAAABAAAAAAAAAQAAgAAAAAAAAAIAAAAAAIAEAAAAAAABAAAAACAAAAAAAAEAAAAEAQAAAAAIAAABAIAAAAAQAAAQEAAAABAAACAAAAABAAAECAAAAQA==


formula: Cm O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: CmO2
a: 5.372
b: 5.372
c: 5.372
alpha: 90
beta: 90
gamma: 90
cell_volume: 155.027
crystal_density: 11.954
atoms_sites: ["Cm", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAgAAAAAAAAAAAAAAAQAAAAAAAACAAEAAAAAAAAAAgAAAAAAgAQAAAAAAAEAAAAAIAAAAAAAAIAAAAIAgAAAAAIAAABAIAAAAAgAAAQCAAAABAAACAAAAAAgAAEBAAAAI==


formula: Co Si2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: CoSi2
a: 5.356
b: 5.356
c: 5.356
alpha: 90
beta: 90
gamma: 90
cell_volume: 153.646
crystal_density: 4.976
atoms_sites: ["Co", "Si"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAQAAAAAAAAAAAAAAAIAAAAAAAABAACAAAAAAAAAAQAAAAAAQAEAAAAAAABAAAAAEAAAAAAAACAAAACAIAAAAACAAAAQCAAAAAIAAAEAgAAAAIAAAQAAAAAIAAAgQAAAB==


formula: Dy H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: DyH2
a: 5.201
b: 5.201
c: 5.201
alpha: 90
beta: 90
gamma: 90
cell_volume: 140.689
crystal_density: 7.767
atoms_sites: ["Dy", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAIAAAAAAAAAAAAAAAAgAAAAAAAABAACAAAAAAAAAAEAAAAAABAAgAAAAAAACAAAAACAAAAAAAABAAAAAQBAAAAAAIAAAAgCAAAAAEAAACAQAAAACAAACAAAAAAgAABA==


formula: Er H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: ErH2
a: 5.123
b: 5.123
c: 5.123
alpha: 90
beta: 90
gamma: 90
cell_volume: 134.454
crystal_density: 8.362
atoms_sites: ["Er", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAABAAAAAAAAAAAAAAAABAAAAAAAAABAABAAAAAAAAAABAAAAAAAQAIAAAAAAAAQAAAAAQAAAAAAAACAAAAAgCAAAAAAIAAAAgEAAAAACAAAAgIAAAAAgAAAgAAAAAEAA==


formula: Eu F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: EuF2
a: 5.796
b: 5.796
c: 5.796
alpha: 90
beta: 90
gamma: 90
cell_volume: 194.709
crystal_density: 6.480
atoms_sites: ["Eu", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAQAAAAAAAAAAAAAAQAAAAAAAAgACAAAAAAAAAIAAAAABABAAAAAAAEAAAABAAAAAAAAQAAABAIAAAAAIAAAEBAAAAAQAAAgIAAAAQAABAAAAAEAABAgAAAIAAEEAAACAAEC==


formula: Ge Mg2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: GeMg2
a: 6.378
b: 6.378
c: 6.378
alpha: 90
beta: 90
gamma: 90
cell_volume: 259.450
crystal_density: 3.103
atoms_sites: ["Ge", "Mg"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAABAAAAAAAAAAAAAEAAAAAAAEABAAAAAAAACAAAAAEAEAAAAAAIAAAAIAAAAAABAAAAQEAAAABAAACAgAAACAAAIEAAABAAAQAAAAIAAIIAAAIAAQQAABAACEAAAgACAAABAAIQA==


formula: Gd H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: GdH2
a: 5.303
b: 5.303
c: 5.303
alpha: 90
beta: 90
gamma: 90
cell_volume: 149.130
crystal_density: 7.094
atoms_sites: ["Gd", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAEAAAAAAAAAAAAAAABAAAAAAAAAEAAEAAAAAAAAAAgAAAAAAgAIAAAAAAACAAAAACAAAAAAAACAAAABAEAAAAABAAAAEAgAAAABAAAAgEAAAABAAACAAAAAAgAACBAAA==


formula: Hf O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: HfO2
a: 5.115
b: 5.115
c: 5.115
alpha: 90
beta: 90
gamma: 90
cell_volume: 133.825
crystal_density: 10.447
atoms_sites: ["Hf", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAgAAAAAAAAAAAAAAABAAAAAAAAABAABAAAAAAAAAABAAAAAAAIAEAAAAAAAAIAAAAAIAAAAAAAABAAAAAQBAAAAAAEAAAAQBAAAAABAAAAQCAAAAAIAAAIAAAAABAA==


formula: Hg F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: HgF2
a: 5.54
b: 5.54
c: 5.54
alpha: 90
beta: 90
gamma: 90
cell_volume: 170.031
crystal_density: 9.320
atoms_sites: ["Hg", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAABAAAAAAAAAAAAAAAEAAAAAAAACAAEAAAAAAAAACAAAAAAEAEAAAAAAAEAAAAAQAAAAAAABAAAABAIAAAAAEAAAAgIAAAAAgAAAgIAAAAIAAAQAAAAAQAACBAAAAIAACBA==


formula: Ho H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: HoH2
a: 5.165
b: 5.165
c: 5.165
alpha: 90
beta: 90
gamma: 90
cell_volume: 137.788
crystal_density: 8.048
atoms_sites: ["Ho", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAEAAAAAAAAAAAAAAAAIAAAAAAAAAIAAQAAAAAAAAAAQAAAAAAIACAAAAAAAAIAAAAAIAAAAAAAACAAAAAgCAAAAAAIAAAAgEAAAAAEAAABAQAAAACAAACAAAAAAQAAA==


formula: Ir Sn2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: IrSn2
a: 6.338
b: 6.338
c: 6.338
alpha: 90
beta: 90
gamma: 90
cell_volume: 254.599
crystal_density: 11.209
atoms_sites: ["Ir", "Sn"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAgAAAAAAAAAAAACAAAAAAABAAQAAAAAAAAgAAAAAgBAAAAAAAgAAABAAAAAAAEAAACAQAAAAEAAAIEAAAAEAAAgQAAACAABAAAAAQAAIQAAAQAAQgAABAAEEAAAgAEAAABAAEQ==


formula: La H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: LaH2
a: 5.667
b: 5.667
c: 5.667
alpha: 90
beta: 90
gamma: 90
cell_volume: 181.995
crystal_density: 5.143
atoms_sites: ["La", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAgAAAAAAAAAAAAAAIAAAAAAAAIAAgAAAAAAAABAAAAAAEACAAAAAAAEAAAAAgAAAAAAAEAAAAIBAAAAABAAAAQCAAAAAgAAAgIAAAAIAAAgAAAABAAAIIAAABAAAggAAAQ==


formula: Lu H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: LuH2
a: 5.033
b: 5.033
c: 5.033
alpha: 90
beta: 90
gamma: 90
cell_volume: 127.491
crystal_density: 9.221
atoms_sites: ["Lu", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAACAAAAAAAAAAAAAAAABAAAAAAAAAAgAAgAAAAAAAAAAQAAAAAACAAgAAAAAAAAgAAAAAQAAAAAAAACAAAAAQBAAAAAAEAAAAEAgAAAAAQAAAEAgAAAACAAABAAAAAA==


formula: Nb H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: NbH2
a: 4.563
b: 4.563
c: 4.563
alpha: 90
beta: 90
gamma: 90
cell_volume: 95.006
crystal_density: 6.636
atoms_sites: ["Nb", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAABAAAAAAAAAAAAAAAAAABAAAAAAAAAAAQAAEAAAAAAAAAAABAAAAAAAAgACAAAAAAAAAEAAAAAAIAAAAAAAAABAAAAABABAAAAAAAQAAAAEAQAAAAAAgAAAAgE==


formula: Ni Si2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: NiSi2
a: 5.395
b: 5.395
c: 5.395
alpha: 90
beta: 90
gamma: 90
cell_volume: 157.027
crystal_density: 4.859
atoms_sites: ["Ni", "Si"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAABAAAAAAAAAAAAAAABAAAAAAAAAIAAIAAAAAAAAACAAAAAACABAAAAAAAAQAAAABAAAAAAAABAAAABAEAAAAABAAAAIBAAAAAEAAACAgAAAAIAAAQAAAAAIAABAgAAACA==


formula: Np O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: NpO2
a: 5.4341
b: 5.4341
c: 5.4341
alpha: 90
beta: 90
gamma: 90
cell_volume: 160.466
crystal_density: 11.135
atoms_sites: ["Np", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAEAAAAAAAAAAAAAAAEAAAAAAAABAACAAAAAAAAAAgAAAAAAgAQAAAAAAAIAAAAAQAAAAAAAAgAAAAgCAAAAABAAAAIBAAAAAEAAACAgAAAAIAAAgAAAAAQAACBAAAAEAA==


formula: Pa O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PaO2
a: 5.505
b: 5.505
c: 5.505
alpha: 90
beta: 90
gamma: 90
cell_volume: 166.829
crystal_density: 10.472
atoms_sites: ["Pa", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAgAAAAAAAAAAAAAABAAAAAAAAAQABAAAAAAAAAAQAAAAAAgAQAAAAAAAQAAAABAAAAAAAACAAAAEAQAAAAAIAAACAQAAAABAAABAQAAAAIAAAQAAAAAQAACBAAAAEAACB==


formula: Pb F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.92732
b: 5.92732
c: 5.92732
alpha: 90
beta: 90
gamma: 90
cell_volume: 208.245
crystal_density: 7.821
atoms_sites: ["Pb", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAIAAAAAAAAAAAAAAgAAAAAAACAAQAAAAAAAACAAAAAAgAgAAAAAAEAAAABAAAAAAAAgAAAEAgAAAACAAABAQAAAAIAAAQIAAAAQAACAAAAAIAACCAAABAAAggAAAgAAggAAB==


formula: Pb Mg2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PbMg2
a: 6.836
b: 6.836
c: 6.836
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.452
crystal_density: 5.319
atoms_sites: ["Pb", "Mg"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAEAAACAAAAAAAAAAAAIAAAAAABAAgAAAAAAAIAAAABAEAAAAAAgAAACAAAAAACAAACAgAAABAAAECAAAAQAAIEAAACAACAAAAEAAIIAAAgACCAAAgAEIAACAAQAAAQAEQAAQAEQAAAAIg==


formula: Po O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PoO2
a: 5.687
b: 5.687
c: 5.687
alpha: 90
beta: 90
gamma: 90
cell_volume: 183.929
crystal_density: 8.703
atoms_sites: ["Po", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAABAAAAAAAAAAAAAAAgAAAAAAAAgABAAAAAAAAACAAAAAAIAIAAAAAAAQAAAACAAAAAAAAQAAAAgEAAAAAEAAABAQAAAACAAAEBAAAABAAAIAAAAAIAABBAAAAQAAEEAAACA==


formula: Pr H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PrH2
a: 5.517
b: 5.517
c: 5.517
alpha: 90
beta: 90
gamma: 90
cell_volume: 167.923
crystal_density: 5.653
atoms_sites: ["Pr", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAgAAAAAAAAAAAAAACAAAAAAAAAgABAAAAAAAAABAAAAAACABAAAAAAAAgAAAACAAAAAAAAIAAAAIBAAAAAAgAAAEBAAAAAEAAAEBAAAAAgAABAAAAABAAAIEAAAAgAAIE==


formula: Pr O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PrO2
a: 5.4694
b: 5.4694
c: 5.4694
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.613
crystal_density: 7.019
atoms_sites: ["Pr", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAIAAAAAAAAAAAAAAAQAAAAAAAAEAAIAAAAAAAAAEAAAAAAEACAAAAAAABAAAAAEAAAAAAAAIAAAAIBAAAAAAQAAAEAgAAAACAAACAgAAAAQAAAgAAAAAQAABAgAAAEAAB==


formula: Pt Al2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PtAl2
a: 5.910
b: 5.910
c: 5.910
alpha: 90
beta: 90
gamma: 90
cell_volume: 206.425
crystal_density: 8.013
atoms_sites: ["Pt", "Al"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAEAAAAAAAAAAAAAAQAAAAAAABAAIAAAAAAAABAAAAAAQAQAAAAAABAAAAAgAAAAAAAIAAABAIAAAAAgAAAQEAAAABAAAEBAAAACAAAgAAAABAAAgQAAAIAAEEAAAEAAEIAAA==


formula: Pt Ga2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PtGa2
a: 5.911
b: 5.911
c: 5.911
alpha: 90
beta: 90
gamma: 90
cell_volume: 206.530
crystal_density: 10.759
atoms_sites: ["Pt", "Ga"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAIAAAAAAAAAAAAAAQAAAAAAABAAIAAAAAAAABAAAAAAQAQAAAAAABAAAAAgAAAAAAAQAAABAIAAAAAgAAAQEAAAACAAAECAAAAEAAAgAAAACAAAgQAAAIAAIEAAAEAAEIAAA==


formula: Pt In2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 6.353
b: 6.353
c: 6.353
alpha: 90
beta: 90
gamma: 90
cell_volume: 256.411
crystal_density: 11.002
atoms_sites: ["Pt", "In"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAgAAAAAAAAAAAACAAAAAAACAAQAAAAAAAAgAAAABACAAAAAACAAAACAAAAAAAQAAAEBAAAAAQAAAgIAAAAQAACBAAAAIAACAAAABAABAgAABAACCAAAIAAQgAACAAIAAAEAAhA==


formula: Pt Sn2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PtSn2
a: 6.425
b: 6.425
c: 6.425
alpha: 90
beta: 90
gamma: 90
cell_volume: 265.228
crystal_density: 10.831
atoms_sites: ["Pt", "Sn"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAACAAAAAAAAAAAAAQAAAAAAAgAEAAAAAAAAQAAAAAgBAAAAAABAAAACAAAAAAAQAAAEBAAAAAgAABAQAAABAAAIEAAAAgAAQAAAAIAAEIAAAIAAQgAABAAEIAABAAEAAACAAQgAA==


formula: Pu O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: PuO2
a: 5.3960
b: 5.3960
c: 5.3960
alpha: 90
beta: 90
gamma: 90
cell_volume: 157.114
crystal_density: 11.668
atoms_sites: ["Pu", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAABAAAAAAAAAAAAAAABAAAAAAAAAIAAIAAAAAAAAACAAAAAAEABAAAAAAAAgAAAABAAAAAAAABAAAABAEAAAAACAAAAICAAAAAEAAAEAgAAAAQAAAQAAAAAQAABAgAAACA==


formula: Ra F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: RaF2
a: 6.368
b: 6.368
c: 6.368
alpha: 90
beta: 90
gamma: 90
cell_volume: 258.231
crystal_density: 6.790
atoms_sites: ["Ra", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAABAAAAAAAAAAAAAEAAAAAAAEAAgAAAAAAABAAAAACAEAAAAAAEAAAAIAAAAAAAgAAAICAAAAAgAABAgAAAAgAAEEAAAAgAAIAAAAEAACEAAAEAAEIAAAQABBAAAIABAAAAgACEA==


formula: Sc H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: ScH2
a: 4.78315
b: 4.78315
c: 4.78315
alpha: 90
beta: 90
gamma: 90
cell_volume: 109.431
crystal_density: 2.851
atoms_sites: ["Sc", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAAAAAAAAAAAAAAAAABAAAAAAAAAACAABAAAAAAAAAAAEAAAAAAAEABAAAAAAAAAQAAAAACAAAAAAAAABAAAAAEAIAAAAAAIAAAACAQAAAAACAAAAIBAAAAABAA==


formula: Si Mg2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: SiMg2
a: 6.39
b: 6.39
c: 6.39
alpha: 90
beta: 90
gamma: 90
cell_volume: 260.917
crystal_density: 1.952
atoms_sites: ["Si", "Mg"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAABAAAAAAAAAAAAAIAAAAAAAIABAAAAAAAAEAAAAAEAIAAAAAAIAAAAQAAAAAACAAAAgIAAAACAAAECAAAAEAAAgQAAACAABAAAAAQAAQQAAAgAAhAAACAAIIAABAAIAAAEAAggA==


formula: Sn Mg2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: SnMg2
a: 6.765
b: 6.765
c: 6.765
alpha: 90
beta: 90
gamma: 90
cell_volume: 309.602
crystal_density: 3.590
atoms_sites: ["Sn", "Mg"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAABAAAAgAAAAAAAAAAABAAAAAAAIACAAAAAAABAAAAAEAQAAAAABAAAAIAAAAAAEAAACBAAAABAAAECAAAAQAAECAAABAABAAAABAACCAAAIAARAAAIAAggAAQACAAACAAhAABAARAAAAA==


formula: Sr Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: SrCl2
a: 6.9767
b: 6.9767
c: 6.9767
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.586
crystal_density: 3.101
atoms_sites: ["Sr", "Cl"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAgAAAgAAAAAAAAAAAEAAAAAABAAgAAAAAAAgAAAAEAQAAAAAEAAAAgAAAAABAAABAgAAAAgAAEEAAAAgAAQIAAAIAAIAAAAgABBAAAIAAhAAAQACCAABAAQAAAgAIQAAQAQgAAAAiAAEA==


formula: Sr F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.7996
b: 5.7996
c: 5.7996
alpha: 90
beta: 90
gamma: 90
cell_volume: 195.072
crystal_density: 4.277
atoms_sites: ["Sr", "F"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAQAAAAAAAAAAAAAAgAAAAAAABAAEAAAAAAAAAQAAAAACACAAAAAAAEAAAABAAAAAAAAQAAABAIAAAAAQAAAEBAAAAAQAAAgQAAAAQAACAAAAAIAABAgAAAIAAIEAAAEAAEE==


formula: Tb H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: TbH2
a: 5.246
b: 5.246
c: 5.246
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.373
crystal_density: 7.404
atoms_sites: ["Tb", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAABAAAAAAAAAAAAAAAAEAAAAAAAAAQAAQAAAAAAAAABAAAAAAAgAIAAAAAAABAAAAACAAAAAAAABAAAAAQBAAAAAAQAAAAgEAAAAAIAAAEAgAAAAIAAAIAAAAACAAAIEA==


formula: Tb O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: TbO2
a: 5.220
b: 5.220
c: 5.220
alpha: 90
beta: 90
gamma: 90
cell_volume: 142.237
crystal_density: 8.916
atoms_sites: ["Tb", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAQAAAAAAAAAAAAAAACAAAAAAAAAEAAEAAAAAAAAAAIAAAAAAEACAAAAAAAAIAAAAAQAAAAAAAAEAAAACAIAAAAABAAAAEAgAAAAAgAAAQCAAAAAQAAAgAAAAAEAAAQI==


formula: Th O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.5997
b: 5.5997
c: 5.5997
alpha: 90
beta: 90
gamma: 90
cell_volume: 175.588
crystal_density: 9.988
atoms_sites: ["Th", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAIAAAAAAAAAAAAAABAAAAAAAAAgABAAAAAAAAABAAAAAAEACAAAAAAACAAAAAQAAAAAAABAAAACAQAAAAAIAAACAgAAAAEAAACBAAAAAgAACAAAAACAAAQQAAACAAAggAA==


formula: Tm H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: TmH2
a: 5.090
b: 5.090
c: 5.090
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.872
crystal_density: 8.610
atoms_sites: ["Tm", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAQAAAAAAAAAAAAAAAAQAAAAAAAAAQAAIAAAAAAAAAAIAAAAAACAAgAAAAAAABAAAAABAAAAAAAAAIAAAACAEAAAAAAQAAABAEAAAAAEAAABAIAAAABAAAAgAAAAAEA==


formula: U N2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: UN2
a: 5.31
b: 5.31
c: 5.31
alpha: 90
beta: 90
gamma: 90
cell_volume: 149.721
crystal_density: 11.803
atoms_sites: ["U", "N"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAEAAAAAAAAAAAAAAABAAAAAAAAAIAAIAAAAAAAAABAAAAAAAgAQAAAAAAACAAAAAEAAAAAAAACAAAACAIAAAAACAAAAIBAAAAACAAABAQAAAAEAAAEAAAAABAAAECAAA==


formula: U O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.4682
b: 5.4682
c: 5.4682
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.506
crystal_density: 10.969
atoms_sites: ["U", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAIAAAAAAAAAAAAAAAQAAAAAAAAEAAIAAAAAAAAACAAAAAAEACAAAAAAABAAAAAEAAAAAAAAIAAAAIBAAAAAAQAAACAgAAAACAAACAQAAAAIAAAQAAAAAIAABAgAAAEAAB==


formula: Y H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: YH2
a: 5.199
b: 5.199
c: 5.199
alpha: 90
beta: 90
gamma: 90
cell_volume: 140.527
crystal_density: 4.298
atoms_sites: ["Y", "H"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAIAAAAAAAAAAAAAAAAgAAAAAAAABAABAAAAAAAAAACAAAAAABAAQAAAAAAACAAAAACAAAAAAAAAgAAAAQBAAAAAAIAAAAQCAAAAAEAAABAIAAAABAAACAAAAAAQAABA==


formula: Zr O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Fluorite structure
formula_title: <missing>
a: 5.07
b: 5.07
c: 5.07
alpha: 90
beta: 90
gamma: 90
cell_volume: 130.324
crystal_density: 6.280
atoms_sites: ["Zr", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAIAAAAAAAAAAAAAAAAEAAAAAAAAAEAAEAAAAAAAAAACAAAAAAAgAIAAAAAAAAQAAAAAIAAAAAAAABAAAAAQAgAAAAACAAAAIAgAAAAAQAAAEAgAAAAEAAACAAAAAAQ==


formula: Be2 B
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Be2B
a: 4.670
b: 4.670
c: 4.670
alpha: 90
beta: 90
gamma: 90
cell_volume: 101.848
crystal_density: 1.881
atoms_sites: ["Be", "B"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAABAAAAAAAAAAAAAAAAAAIAAAAAAAAAAIAACAAAAAAAAAAACAAAAAAACAAIAAAAAAAABAAAAAAEAAAAAAAAABAAAAACAEAAAAAABAAAAAgCAAAAAAIAAAAQCAAAA==


formula: Be2 C
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Be2C
a: 4.33
b: 4.33
c: 4.33
alpha: 90
beta: 90
gamma: 90
cell_volume: 81.183
crystal_density: 2.457
atoms_sites: ["Be", "C"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAIAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAQAABAAAAAAAAAAAACAAAAAAAAIAAQAAAAAAAAAEAAAAAACAAAAAAAAAABAAAAAAQAgAAAAAAAgAAAACAIAAAAA==


formula: Ir2 P
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Ir2P
a: 5.535
b: 5.535
c: 5.535
alpha: 90
beta: 90
gamma: 90
cell_volume: 169.571
crystal_density: 16.272
atoms_sites: ["Ir", "P"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAABAAAAAAAAAAAAAAAEAAAAAAAABAAEAAAAAAAAACAAAAAAEACAAAAAAACAAAAAIAAAAAAAAgAAABAEAAAAACAAAAQEAAAAAgAAAQEAAAAEAAAIAAAAAIAABAgAAAEAABAg==


formula: K2 O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: K2O
a: 6.436
b: 6.436
c: 6.436
alpha: 90
beta: 90
gamma: 90
cell_volume: 266.593
crystal_density: 2.347
atoms_sites: ["K", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAgAAAAAAAgAIAAAAAAAAgAAAABABAAAAAACAAAAEAAAAAAAgAAAICAAAAAgAACAgAAABAAAQIAAACAAAgAAAAQAAQQAAAgABBAAAEAAQQAACAAQAAAIABBAAB==


formula: K2 S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: K2S
a: 7.391
b: 7.391
c: 7.391
alpha: 90
beta: 90
gamma: 90
cell_volume: 403.747
crystal_density: 1.814
atoms_sites: ["K", "S"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAEAAAIAAAAAAAAAAAgAAAAAAgAQAAAAAACAAAABAIAAAAAIAAACAAAAAAQAABAgAAAEAABAgAAAQAAQQAAAgABAAAAIAAhAAAQACEAABAARAAAgAQAABAAiAAEACIAAAAiAAQAQAAIARAAQ==


formula: K2 Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: K2Se
a: 7.676
b: 7.676
c: 7.676
alpha: 90
beta: 90
gamma: 90
cell_volume: 452.277
crystal_density: 2.308
atoms_sites: ["K", "Se"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAACAAAIAAAAAAAAAAEAAAAAAQAIAAAAAAEAAAAEAgAAAABAAABAAAAAAQAACBAAAAIAAEEAAAEAAIIAAAgABAAAAQACEAABAAQgAAgAIgAAgAQAACACEAAgARAAAAJAAEAIAAIARAAQBEACAI==


formula: K2 Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: K2Te
a: 8.152
b: 8.152
c: 8.152
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.742
crystal_density: 2.523
atoms_sites: ["K", "Te"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAQAACAAAAAAAAAAIAAAAACAEAAAAAAIAAAAgEAAAAAgAACAAAAACAAAggAAAQAAQQAAAgACCAAAQACAAABAAQgAAgAIgABAAiAAEAEAABABEAAgBEAAABIABAEAAIAkABAEgAQCAAIBAAAAkA==


formula: Li2 O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Li2O
a: 4.619
b: 4.619
c: 4.619
alpha: 90
beta: 90
gamma: 90
cell_volume: 98.547
crystal_density: 2.014
atoms_sites: ["Li", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Li2 S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Li2S
a: 5.708
b: 5.708
c: 5.708
alpha: 90
beta: 90
gamma: 90
cell_volume: 185.974
crystal_density: 1.641
atoms_sites: ["Li", "S"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Li2 Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Li2Se
a: 6.005
b: 6.005
c: 6.005
alpha: 90
beta: 90
gamma: 90
cell_volume: 216.540
crystal_density: 2.848
atoms_sites: ["Li", "Se"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Li2 Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Li2Te
a: 6.504
b: 6.504
c: 6.504
alpha: 90
beta: 90
gamma: 90
cell_volume: 275.132
crystal_density: 3.416
atoms_sites: ["Li", "Te"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na2 O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Na2O
a: 5.55
b: 5.55
c: 5.55
alpha: 90
beta: 90
gamma: 90
cell_volume: 170.954
crystal_density: 2.408
atoms_sites: ["Na", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na2 S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Na2S
a: 6.526
b: 6.526
c: 6.526
alpha: 90
beta: 90
gamma: 90
cell_volume: 277.934
crystal_density: 1.865
atoms_sites: ["Na", "S"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na2 Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Na2Se
a: 6.809
b: 6.809
c: 6.809
alpha: 90
beta: 90
gamma: 90
cell_volume: 315.682
crystal_density: 2.629
atoms_sites: ["Na", "Se"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na2 Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Na2Te
a: 7.314
b: 7.314
c: 7.314
alpha: 90
beta: 90
gamma: 90
cell_volume: 391.259
crystal_density: 2.947
atoms_sites: ["Na", "Te"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rb2 O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Rb2O
a: 6.74
b: 6.74
c: 6.74
alpha: 90
beta: 90
gamma: 90
cell_volume: 306.182
crystal_density: 4.055
atoms_sites: ["Rb", "O"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rb2 S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Anti-fluorite structure
formula_title: Rb2S
a: 7.65
b: 7.65
c: 7.65
alpha: 90
beta: 90
gamma: 90
cell_volume: 447.697
crystal_density: 3.012
atoms_sites: ["Rb", "S"]
atoms_x: QEIPAAAAAAA=
atoms_y: QEIPAAAAAAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zr O S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Distorted fluorite structure
formula_title: ZrOS
a: 5.696
b: 5.696
c: 5.696
alpha: 90
beta: 90
gamma: 90
cell_volume: 184.803
crystal_density: 5.006
atoms_sites: ["Zr", "O", "S"]
atoms_x: 4LwSAACkOACA6SIA
atoms_y: 4LwSAACkOACA6SIA
atoms_z: 4LwSAACkOACA6SIA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: La O F
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Distorted fluorite structure
formula_title: beta-LaOF
a: 4.051
b: 4.051
c: 20.212
alpha: 90
beta: 90
gamma: 120
cell_volume: 287.253
crystal_density: 6.032
atoms_sites: ["La", "O", "F"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: QMUOAECVFgBAcgcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: La O F
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Distorted fluorite structure
formula_title: gamma-LaOF
a: 4.091
b: 4.091
c: 5.852
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.941
crystal_density: 5.897
atoms_sites: ["La", "O", "F"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAAAAAAAA
atoms_z: QHwvAICEHgAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: CoF2
a: 4.6951
b: 4.6951
c: 3.1796
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.091
crystal_density: 4.593
atoms_sites: ["Co", "F"]
atoms_x: AAAAAECtEgA=
atoms_y: AAAAAECtEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: FeF2
a: 4.6966
b: 4.6966
c: 3.3091
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.992
crystal_density: 4.270
atoms_sites: ["Fe", "F"]
atoms_x: AAAAAIBPEgA=
atoms_y: AAAAAIBPEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mg F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: <missing>
a: 4.623
b: 4.623
c: 3.052
alpha: 90
beta: 90
gamma: 90
cell_volume: 65.228
crystal_density: 3.172
atoms_sites: ["Mg", "F"]
atoms_x: AAAAAGB+EgA=
atoms_y: AAAAAGB+EgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: MnF2
a: 4.8734
b: 4.8734
c: 3.3099
alpha: 90
beta: 90
gamma: 90
cell_volume: 78.610
crystal_density: 3.926
atoms_sites: ["Mn", "F"]
atoms_x: AAAAAKCdEgA=
atoms_y: AAAAAKCdEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ni F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: NiF2
a: 4.6506
b: 4.6506
c: 3.0836
alpha: 90
beta: 90
gamma: 90
cell_volume: 66.692
crystal_density: 4.815
atoms_sites: ["Ni", "F"]
atoms_x: AAAAAMBuEgA=
atoms_y: AAAAAMBuEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pd F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: PdF2
a: 4.931
b: 4.931
c: 3.367
alpha: 90
beta: 90
gamma: 90
cell_volume: 81.868
crystal_density: 5.858
atoms_sites: ["Pd", "F"]
atoms_x: AAAAAMBuEgA=
atoms_y: AAAAAMBuEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zn F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: ZnF2
a: 4.7034
b: 4.7034
c: 3.1335
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.319
crystal_density: 4.953
atoms_sites: ["Zn", "F"]
atoms_x: AAAAAGB+EgA=
atoms_y: AAAAAGB+EgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ge O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: <missing>
a: 4.395
b: 4.395
c: 2.859
alpha: 90
beta: 90
gamma: 90
cell_volume: 55.225
crystal_density: 6.291
atoms_sites: ["Ge", "O"]
atoms_x: AAAAAOC8EgA=
atoms_y: AAAAAOC8EgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn O2
compound: <missing>
formula_title: <missing>
a: 4.396
b: 4.396
c: 2.871
alpha: 90
beta: 90
gamma: 90
cell_volume: 55.482
crystal_density: 5.204
atoms_sites: ["Mn", "O"]
atoms_x: AAAAAMBuEgA=
atoms_y: AAAAAMBuEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: beta phase of MnO2, rutile structure

qdat:
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formula: Sn O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Rutile structure
formula_title: <missing>
a: 4.73727
b: 4.73727
c: 3.186383
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.508
crystal_density: 6.999
atoms_sites: ["Sn", "O"]
atoms_x: AAAAAOC8EgA=
atoms_y: AAAAAOC8EgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ti O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.59373
b: 4.59373
c: 2.95812
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.423
crystal_density: 4.250
atoms_sites: ["Ti", "O"]
atoms_x: AAAAAFCiEgA=
atoms_y: AAAAAFCiEgA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ca Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure
formula_title: <missing>
a: 6.24
b: 6.43
c: 4.20
alpha: 90
beta: 90
gamma: 90
cell_volume: 168.517
crystal_density: 2.187
atoms_sites: ["Ca", "Cl"]
atoms_x: AAAAAODIEAA=
atoms_y: AAAAACDWEwA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cr Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: distorted rutile structure
formula_title: CrCl2
a: 5.974
b: 6.624
c: 3.488
alpha: 90
beta: 90
gamma: 90
cell_volume: 138.026
crystal_density: 2.957
atoms_sites: ["Cr", "Cl"]
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formula: Ti O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 3.785
b: 3.785
c: 9.514
alpha: 90
beta: 90
gamma: 90
cell_volume: 136.300
crystal_density: 3.893
atoms_sites: ["Ti", "O"]
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formula: Ti O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 9.184
b: 5.447
c: 5.145
alpha: 90
beta: 90
gamma: 90
cell_volume: 257.380
crystal_density: 4.123
atoms_sites: ["Ti", "O1", "O2"]
atoms_x: oN8HANCdAAAAEA4A
atoms_y: wO4FAOARCQCg5QYA
atoms_z: 0KH3/wAiCwAwv+P/
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
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qdat:
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formula: Te O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.805
b: 4.805
c: 7.609
alpha: 90
beta: 90
gamma: 90
cell_volume: 175.677
crystal_density: 6.034
atoms_sites: ["Te", "O"]
atoms_x: wNQBAKDNCgA=
atoms_y: wNQBAODaDQA=
atoms_z: AAAAAKA+DQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: V O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: VO2
a: 5.743
b: 4.517
c: 5.375
alpha: 90
beta: 122.60
gamma: 90
cell_volume: 117.466
crystal_density: 4.690
atoms_sites: ["V", "O1", "O2"]
atoms_x: QMUOAIAaBgDAzRcA
atoms_y: YII7AEDRDABAHSoA
atoms_z: oIYBAAA1DABAsxEA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mo O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 5.584
b: 4.842
c: 5.608
alpha: 90
beta: 120.983
gamma: 90
cell_volume: 129.993
crystal_density: 6.537
atoms_sites: ["Mo", "O1", "O2"]
atoms_x: ACkOAMC2BgDAzRcA
atoms_y: AAAAAEDRDACAuSoA
atoms_z: oAkBAACmDgCATxIA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2
formula_title: <missing>
a: 4.947
b: 5.951
c: 5.497
alpha: 90
beta: 90
gamma: 90
cell_volume: 161.829
crystal_density: 9.818
atoms_sites: ["Pb", "O"]
atoms_x: AAAAAIDYEAA=
atoms_y: QN0KAEAGGQA=
atoms_z: QEIPAKDwGQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Re O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ReO2
a: 4.8094
b: 5.6433
c: 4.6007
alpha: 90
beta: 90
gamma: 90
cell_volume: 124.867
crystal_density: 11.607
atoms_sites: ["Re", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: wLYGAAD5FQA=
atoms_z: QEIPACChBwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Nb O2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: NbO2
a: 13.71
b: 13.71
c: 5.985
alpha: 90
beta: 90
gamma: 90
cell_volume: 1124.965
crystal_density: 5.900
atoms_sites: ["Nb1", "Nb2", "O1", "O2", "O3", "O4"]
atoms_x: wLYGAEDvBwCA0DsAQDQ7AAAXEQCA3g8A
atoms_y: AJvvAQBuvgBAJXYBAFxEAABTBwDA7HQB
atoms_z: AHlOAUDJMQEAAAAAgLFPAcCiqgGAzAYC
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cu F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CuF2
a: 4.59
b: 4.54
c: 3.32
alpha: 90
beta: 96.67
gamma: 90
cell_volume: 68.716
crystal_density: 4.908
atoms_sites: ["Cu", "F"]
atoms_x: AAAAAIBPEgA=
atoms_y: AAAAAIBPEgA=
atoms_z: AAAAAICvAgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cr F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CrF2
a: 4.732
b: 4.718
c: 3.505
alpha: 90
beta: 96.50
gamma: 90
cell_volume: 77.748
crystal_density: 3.844
atoms_sites: ["Cr", "F"]
atoms_x: AAAAAKAgEgA=
atoms_y: AAAAAKAgEgA=
atoms_z: AAAAAICvAgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ir Se2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: IrSe2
a: 20.94
b: 5.93
c: 3.74
alpha: 90
beta: 90
gamma: 90
cell_volume: 464.411
crystal_density: 10.016
atoms_sites: ["Ir1", "Ir2", "Se1", "Se2", "Se3", "Se4"]
atoms_x: gFz7/wBy7f9gbQAAYJ34/yB3DgAg2On/
atoms_y: IPDl/8AF5f/AehAA4ED9/4DGEwDAe/v/
atoms_z: QEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ca I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: CaI2
a: 4.48
b: 4.48
c: 6.96
alpha: 90
beta: 90
gamma: 120
cell_volume: 120.975
crystal_density: 4.034
atoms_sites: ["Ca", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ca (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.5844
b: 3.5844
c: 4.8962
alpha: 90
beta: 90
gamma: 120
cell_volume: 54.478
crystal_density: 2.258
atoms_sites: ["Ca", "O-H"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAKA4DgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: CoBr2
a: 3.68
b: 3.68
c: 6.12
alpha: 90
beta: 90
gamma: 120
cell_volume: 71.776
crystal_density: 5.061
atoms_sites: ["Co", "Br"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: CoI2
a: 3.96
b: 3.96
c: 6.65
alpha: 90
beta: 90
gamma: 120
cell_volume: 90.311
crystal_density: 5.750
atoms_sites: ["Co", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: Co(OH)2
a: 3.173
b: 3.173
c: 4.640
alpha: 90
beta: 90
gamma: 120
cell_volume: 40.457
crystal_density: 3.815
atoms_sites: ["Co", "O-H"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAIBtDQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: FeBr2
a: 3.74
b: 3.74
c: 6.17
alpha: 90
beta: 90
gamma: 120
cell_volume: 74.741
crystal_density: 4.791
atoms_sites: ["Fe", "Br"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: FeI2
a: 4.04
b: 4.04
c: 6.75
alpha: 90
beta: 90
gamma: 120
cell_volume: 95.411
crystal_density: 5.389
atoms_sites: ["Fe", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.258
b: 3.258
c: 4.605
alpha: 90
beta: 90
gamma: 120
cell_volume: 42.331
crystal_density: 3.525
atoms_sites: ["Fe", "O-H"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ge I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: GeI2
a: 4.13
b: 4.13
c: 6.79
alpha: 90
beta: 90
gamma: 120
cell_volume: 100.300
crystal_density: 5.404
atoms_sites: ["Ge", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ir Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.93
b: 3.93
c: 5.393
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.135
crystal_density: 10.300
atoms_sites: ["Ir", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mg Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: MgBr2
a: 3.81
b: 3.81
c: 6.26
alpha: 90
beta: 90
gamma: 120
cell_volume: 78.696
crystal_density: 3.885
atoms_sites: ["Mg", "Br"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
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formula: Mg I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: MgI2
a: 4.14
b: 4.14
c: 6.88
alpha: 90
beta: 90
gamma: 120
cell_volume: 102.122
crystal_density: 4.522
atoms_sites: ["Mg", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
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atoms_u_iso: 0
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formula: Mn Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: MnBr2
a: 3.82
b: 3.82
c: 6.19
alpha: 90
beta: 90
gamma: 120
cell_volume: 78.225
crystal_density: 4.559
atoms_sites: ["Mn", "Br"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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formula: Mn I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: MnI2
a: 4.16
b: 4.16
c: 6.82
alpha: 90
beta: 90
gamma: 120
cell_volume: 102.212
crystal_density: 5.016
atoms_sites: ["Mn", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Mn (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.34
b: 3.34
c: 4.68
alpha: 90
beta: 90
gamma: 120
cell_volume: 45.214
crystal_density: 3.267
atoms_sites: ["Mn", "O-H"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
qdat:
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formula: Ni (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.117
b: 3.117
c: 4.595
alpha: 90
beta: 90
gamma: 120
cell_volume: 38.662
crystal_density: 3.982
atoms_sites: ["Ni", "O-H"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ni Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.861
b: 3.861
c: 5.297
alpha: 90
beta: 90
gamma: 120
cell_volume: 68.385
crystal_density: 7.622
atoms_sites: ["Ni", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Pb I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: PbI2
a: 4.555
b: 4.555
c: 6.977
alpha: 90
beta: 90
gamma: 120
cell_volume: 125.365
crystal_density: 6.106
atoms_sites: ["Pb", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAKAsEAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Pd Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 4.0365
b: 4.0365
c: 5.1262
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.333
crystal_density: 8.302
atoms_sites: ["Pd", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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qdat:
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formula: Pt Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 4.010
b: 4.010
c: 5.201
alpha: 90
beta: 90
gamma: 120
cell_volume: 72.428
crystal_density: 10.323
atoms_sites: ["Pt", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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formula: Pt Se2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.724
b: 3.724
c: 5.062
alpha: 90
beta: 90
gamma: 120
cell_volume: 60.796
crystal_density: 9.642
atoms_sites: ["Pt", "Se"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Rh Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: RhTe2
a: 3.92
b: 3.92
c: 5.41
alpha: 90
beta: 90
gamma: 120
cell_volume: 71.995
crystal_density: 8.260
atoms_sites: ["Rh", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Si Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: SiTe2
a: 4.28
b: 4.28
c: 6.71
alpha: 90
beta: 90
gamma: 120
cell_volume: 106.449
crystal_density: 4.419
atoms_sites: ["Si", "Te"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAKAsEAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
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atoms_aniso_u23: 0
qdat:
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formula: Sn S2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: <missing>
a: 3.639
b: 3.639
c: 5.868
alpha: 90
beta: 90
gamma: 120
cell_volume: 67.295
crystal_density: 4.512
atoms_sites: ["Sn", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Ti Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: TiCl2
a: 3.561
b: 3.561
c: 5.875
alpha: 90
beta: 90
gamma: 120
cell_volume: 64.518
crystal_density: 3.057
atoms_sites: ["Ti", "Cl"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zn I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
formula_title: ZnI2
a: 4.25
b: 4.25
c: 6.54
alpha: 90
beta: 90
gamma: 120
cell_volume: 102.302
crystal_density: 5.181
atoms_sites: ["Zn", "I"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Au Pb2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 7.31
b: 7.31
c: 5.644
alpha: 90
beta: 90
gamma: 90
cell_volume: 301.593
crystal_density: 13.464
atoms_sites: ["Au", "Pb"]
atoms_x: AAAAAGAxCgA=
atoms_y: AAAAAOC1KAA=
atoms_z: QEIPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cd Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: CdBr2
a: 3.95
b: 3.95
c: 18.67
alpha: 90
beta: 90
gamma: 120
cell_volume: 252.272
crystal_density: 5.376
atoms_sites: ["Cd", "Br"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cd Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: CdCl2
a: 3.85
b: 3.85
c: 17.46
alpha: 90
beta: 90
gamma: 120
cell_volume: 224.128
crystal_density: 4.075
atoms_sites: ["Cd", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Co Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: CoCl2
a: 3.544
b: 3.544
c: 17.430
alpha: 90
beta: 90
gamma: 120
cell_volume: 189.590
crystal_density: 3.412
atoms_sites: ["Co", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cs2 O
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: Cs2O
a: 4.256
b: 4.256
c: 18.99
alpha: 90
beta: 90
gamma: 120
cell_volume: 297.892
crystal_density: 4.713
atoms_sites: ["Cs", "O"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AKAPAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: <missing>
a: 3.579
b: 3.579
c: 17.536
alpha: 90
beta: 90
gamma: 120
cell_volume: 194.529
crystal_density: 3.246
atoms_sites: ["Fe", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mg Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: <missing>
a: 3.596
b: 3.596
c: 17.589
alpha: 90
beta: 90
gamma: 120
cell_volume: 196.975
crystal_density: 2.408
atoms_sites: ["Mg", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: <missing>
a: 3.686
b: 3.686
c: 17.470
alpha: 90
beta: 90
gamma: 120
cell_volume: 205.558
crystal_density: 3.050
atoms_sites: ["Mn", "Cl"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Ni Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: NiBr2
a: 3.708
b: 3.708
c: 18.300
alpha: 90
beta: 90
gamma: 120
cell_volume: 217.902
crystal_density: 4.995
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formula: Ni Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: NiCl2
a: 3.543
b: 3.543
c: 17.335
alpha: 90
beta: 90
gamma: 120
cell_volume: 188.450
crystal_density: 3.426
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formula: Ni I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: NiI2
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b: 3.892
c: 19.634
alpha: 90
beta: 90
gamma: 120
cell_volume: 257.564
crystal_density: 6.044
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formula: Ta S2
compound: <missing>
formula_title: TaS2
a: 3.32
b: 3.32
c: 18.29
alpha: 90
beta: 90
gamma: 120
cell_volume: 174.590
crystal_density: 6.993
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pub_title:
 Second edition. Interscience Publishers, New York, New York
 Note: the gamma phase
 Note: cadmium chloride structure

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formula: Zn Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: ZnBr2
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b: 3.92
c: 18.73
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formula: Zn Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: ZnCl2
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b: 3.774
c: 17.765
alpha: 90
beta: 90
gamma: 120
cell_volume: 219.129
crystal_density: 3.099
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formula: Zn I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: ZnI2
a: 4.25
b: 4.25
c: 21.5
alpha: 90
beta: 90
gamma: 120
cell_volume: 336.316
crystal_density: 4.728
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formula: Cd I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: CdI2
a: 4.24
b: 4.24
c: 13.67
alpha: 90
beta: 90
gamma: 120
cell_volume: 212.829
crystal_density: 5.715
atoms_sites: ["Cd", "I1", "I2"]
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formula: Cd Cl (O H)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Cd(OH)Cl
a: 3.66
b: 3.66
c: 10.27
alpha: 90
beta: 90
gamma: 120
cell_volume: 119.142
crystal_density: 4.596
atoms_sites: ["Cd", "Cl", "O-H"]
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formula: Pb I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PbI2
a: 4.557
b: 4.557
c: 13.958
alpha: 90
beta: 90
gamma: 120
cell_volume: 251.022
crystal_density: 6.099
atoms_sites: ["Pb", "I1", "I2"]
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formula: Pb I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PbI2
a: 4.557
b: 4.557
c: 20.937
alpha: 90
beta: 90
gamma: 120
cell_volume: 376.533
crystal_density: 6.099
atoms_sites: ["Pb1", "Pb2", "Pb3", "I1", "I2", "I3", "I4", "I5", "I6"]
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formula: Pb I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
formula_title: PbI2
a: 4.557
b: 4.557
c: 20.937
alpha: 90
beta: 90
gamma: 120
cell_volume: 376.533
crystal_density: 6.099
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formula: Pb I2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PbI2
a: 4.557
b: 4.557
c: 41.874
alpha: 90
beta: 90
gamma: 120
cell_volume: 753.066
crystal_density: 6.099
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formula: Mo S2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 3.1604
b: 3.1604
c: 12.295
alpha: 90
beta: 90
gamma: 120
cell_volume: 106.351
crystal_density: 4.999
atoms_sites: ["Mo", "S"]
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formula: W S2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 3.18
b: 3.18
c: 12.5
alpha: 90
beta: 90
gamma: 120
cell_volume: 109.470
crystal_density: 7.523
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formula: W Se2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: WSe2
a: 3.29
b: 3.29
c: 12.97
alpha: 90
beta: 90
gamma: 120
cell_volume: 121.580
crystal_density: 9.336
atoms_sites: ["W", "Se"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: QEIPACDnJQA=
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formula: Mo Te2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: MoTe2
a: 3.5182
b: 3.5182
c: 13.9736
alpha: 90
beta: 90
gamma: 120
cell_volume: 149.789
crystal_density: 7.785
atoms_sites: ["Mo", "Te"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: QEIPACDnJQA=
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formula: Mo S2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: MoS2
a: 3.16
b: 3.16
c: 18.45
alpha: 90
beta: 90
gamma: 120
cell_volume: 159.552
crystal_density: 4.998
atoms_sites: ["Mo", "S1", "S2"]
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formula: Zn (O Cl) H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: called beta-Zn(OH)Cl
formula_title: Zn(OH)Cl
a: 5.86
b: 6.58
c: 11.33
alpha: 90
beta: 90
gamma: 90
cell_volume: 436.871
crystal_density: 3.584
atoms_sites: ["Zn", "O-H", "Cl"]
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formula: Co (O Br) H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Co(OH)Br
a: 5.903
b: 6.700
c: 11.86
alpha: 90
beta: 90
gamma: 90
cell_volume: 469.064
crystal_density: 4.414
atoms_sites: ["Co", "O-H", "Br"]
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formula: Cu (O Cl) H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 5.555
b: 6.671
c: 6.127
alpha: 90
beta: 114.88
gamma: 90
cell_volume: 205.978
crystal_density: 3.741
atoms_sites: ["Cu", "O-H", "Cl"]
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atoms_y: 0CgHANBRFQDQBxkA
atoms_z: kA3+/zB9BwAA9ez/
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formula: U O2 F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: UO2F2
a: 4.206
b: 4.206
c: 15.692
alpha: 90
beta: 90
gamma: 120
cell_volume: 240.407
crystal_density: 6.383
atoms_sites: ["U", "O", "F"]
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atoms_z: AAAAAEByBwDA8REA
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qdat:
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formula: Mn (O2 H)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 4.56
b: 10.70
c: 2.85
alpha: 90
beta: 90
gamma: 90
cell_volume: 139.057
crystal_density: 4.201
atoms_sites: ["Mn", "O-H1", "O2"]
atoms_x: gM39/8B6EADALvP/
atoms_y: gIsIAADL8//A8vz/
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Fe O2 H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 12.4
b: 3.87
c: 3.06
alpha: 90
beta: 90
gamma: 90
cell_volume: 146.843
crystal_density: 4.019
atoms_sites: ["Fe", "O", "O-H"]
atoms_x: wCL1/0DRDACg8BkA
atoms_y: QEIPAEBCDwBAQg8A
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formula: Al O2 H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 12.227
b: 3.700
c: 2.866
alpha: 90
beta: 90
gamma: 90
cell_volume: 129.658
crystal_density: 3.073
atoms_sites: ["Al", "O", "O-H"]
atoms_x: QN71/yAADQCgbRoA
atoms_y: QEIPAEBCDwBAQg8A
atoms_z: AAAAAAAAAAAAAAAA
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formula: Sc O2 H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ScO(OH)
a: 13.01
b: 4.01
c: 3.24
alpha: 90
beta: 90
gamma: 90
cell_volume: 169.031
crystal_density: 3.064
atoms_sites: ["Sc", "O", "O-H"]
atoms_x: QOT0/0BODQAgLxoA
atoms_y: QEIPAEBCDwBAQg8A
atoms_z: AAAAAAAAAAAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
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formula: Cu (O2 H2)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 10.59
b: 5.256
c: 2.949
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.144
crystal_density: 3.948
atoms_sites: ["Cu", "O-H1", "O-H2"]
atoms_x: cNz0/8AVDADgjBoA
atoms_y: QEIPAEBCDwBAQg8A
atoms_z: AAAAAAAAAAAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
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formula: Ba H Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: BaHBr
a: 4.564
b: 4.564
c: 7.428
alpha: 90
beta: 90
gamma: 90
cell_volume: 154.726
crystal_density: 4.684
atoms_sites: ["Ba", "H", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: YK4KAAAAAADA5CgA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Ba H Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: BaHCl
a: 4.408
b: 4.408
c: 7.202
alpha: 90
beta: 90
gamma: 90
cell_volume: 139.938
crystal_density: 4.124
atoms_sites: ["Ba", "H", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: YB8NAAAAAABArCcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ba H I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: BaHI
a: 4.828
b: 4.828
c: 7.867
alpha: 90
beta: 90
gamma: 90
cell_volume: 183.377
crystal_density: 4.804
atoms_sites: ["Ba", "H", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: wJgLAAAAAAAAgSkA
atoms_occupancy: 0
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qdat:
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formula: Bi O Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: BiOBr
a: 3.916
b: 3.916
c: 8.077
alpha: 90
beta: 90
gamma: 90
cell_volume: 123.861
crystal_density: 8.175
atoms_sites: ["Bi", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QGYJAAAAAAAg2ycA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Bi O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: <missing>
a: 3.891
b: 3.891
c: 7.369
alpha: 90
beta: 90
gamma: 90
cell_volume: 111.566
crystal_density: 7.753
atoms_sites: ["Bi", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QGAKAAAAAAAgXicA
atoms_occupancy: 0
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qdat:
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formula: Bi O F
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: <missing>
a: 3.748
b: 3.748
c: 6.224
alpha: 90
beta: 90
gamma: 90
cell_volume: 87.432
crystal_density: 9.267
atoms_sites: ["Bi", "O", "F"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ALIMAAAAAABArCcA
atoms_occupancy: 0
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qdat:
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formula: Bi O I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: BiOI
a: 3.985
b: 3.985
c: 9.129
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.971
crystal_density: 8.061
atoms_sites: ["Bi", "O", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gA4IAAAAAACAxSgA
atoms_occupancy: 0
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qdat:
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formula: Ca H Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: CaHBr
a: 3.858
b: 3.858
c: 7.911
alpha: 90
beta: 90
gamma: 90
cell_volume: 117.749
crystal_density: 3.412
atoms_sites: ["Ca", "H", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gIsIAAAAAADA5CgA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Ca H I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: CaHI
a: 4.071
b: 4.071
c: 8.941
alpha: 90
beta: 90
gamma: 90
cell_volume: 148.180
crystal_density: 3.765
atoms_sites: ["Ca", "H", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: AMQJAAAAAADgMikA
atoms_occupancy: 0
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formula: Ho O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: HoOCl
a: 3.893
b: 3.893
c: 6.602
alpha: 90
beta: 90
gamma: 90
cell_volume: 100.056
crystal_density: 7.182
atoms_sites: ["Ho", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QGAKAAAAAADAcyYA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: La O Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: LaOBr
a: 4.145
b: 4.145
c: 7.359
alpha: 90
beta: 90
gamma: 90
cell_volume: 126.435
crystal_density: 6.168
atoms_sites: ["La", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gAIKAAAAAADgwSYA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: La O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: LaOCl
a: 4.119
b: 4.119
c: 6.883
alpha: 90
beta: 90
gamma: 90
cell_volume: 116.778
crystal_density: 5.414
atoms_sites: ["La", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QN0KAAAAAADgwSYA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: La O I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: LaOI
a: 4.144
b: 4.144
c: 9.126
alpha: 90
beta: 90
gamma: 90
cell_volume: 156.718
crystal_density: 5.972
atoms_sites: ["La", "O", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: YD0IAAAAAACASCgA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: Nd O Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: NdOBr
a: 4.017
b: 4.017
c: 7.619
alpha: 90
beta: 90
gamma: 90
cell_volume: 122.942
crystal_density: 6.487
atoms_sites: ["Nd", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: AMQJAAAAAAAAECcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Nd O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: NdOCl
a: 4.018
b: 4.018
c: 6.782
alpha: 90
beta: 90
gamma: 90
cell_volume: 109.491
crystal_density: 5.936
atoms_sites: ["Nd", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAAAAECcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Np O S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: NpOS
a: 3.825
b: 3.825
c: 6.654
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.352
crystal_density: 9.725
atoms_sites: ["Np", "O", "S"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ADUMAAAAAADA8CYA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb F Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: PbFBr
a: 4.18
b: 4.18
c: 7.59
alpha: 90
beta: 90
gamma: 90
cell_volume: 132.616
crystal_density: 7.666
atoms_sites: ["Pb", "F", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: 4OYLAAAAAABArCcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb F Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: <missing>
a: 4.106
b: 4.106
c: 7.23
alpha: 90
beta: 90
gamma: 90
cell_volume: 121.892
crystal_density: 7.129
atoms_sites: ["Pb", "F", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ADUMAAAAAABArCcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pr O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: PrOCl
a: 4.051
b: 4.051
c: 6.810
alpha: 90
beta: 90
gamma: 90
cell_volume: 111.756
crystal_density: 5.716
atoms_sites: ["Pr", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAAAAECcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Pu O Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: PuOBr
a: 4.022
b: 4.022
c: 7.571
alpha: 90
beta: 90
gamma: 90
cell_volume: 122.472
crystal_density: 9.217
atoms_sites: ["Pu", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
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atoms_z: AMQJAAAAAAAAECcA
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formula: Pu O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: PuOCl
a: 4.012
b: 4.012
c: 6.792
alpha: 90
beta: 90
gamma: 90
cell_volume: 109.325
crystal_density: 8.975
atoms_sites: ["Pu", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAAAAECcA
atoms_occupancy: 0
atoms_u_iso: 0
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formula: Pu O I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: PuOI
a: 4.042
b: 4.042
c: 9.169
alpha: 90
beta: 90
gamma: 90
cell_volume: 149.801
crystal_density: 8.578
atoms_sites: ["Pu", "O", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QO8HAAAAAADA5CgA
atoms_occupancy: 0
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formula: Sm O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: SmOCl
a: 3.982
b: 3.982
c: 6.721
alpha: 90
beta: 90
gamma: 90
cell_volume: 106.570
crystal_density: 6.289
atoms_sites: ["Sm", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: QGAKAAAAAADAcyYA
atoms_occupancy: 0
atoms_u_iso: 0
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formula: Sr H Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: SrHBr
a: 4.254
b: 4.254
c: 7.290
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.924
crystal_density: 4.243
atoms_sites: ["Sr", "H", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: 4HUJAAAAAAAAgSkA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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formula: Sr H Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: SrHCl
a: 4.100
b: 4.100
c: 6.961
alpha: 90
beta: 90
gamma: 90
cell_volume: 117.014
crystal_density: 3.522
atoms_sites: ["Sr", "H", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: YCUMAAAAAACASCgA
atoms_occupancy: 0
atoms_u_iso: 0
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formula: Sr H I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: SrHI
a: 4.371
b: 4.371
c: 8.450
alpha: 90
beta: 90
gamma: 90
cell_volume: 161.443
crystal_density: 4.434
atoms_sites: ["Sr", "H", "I"]
atoms_x: AAAAAAAAAAAAAAAA
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atoms_z: ADUMAAAAAACAuSoA
atoms_occupancy: 0
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formula: Th O S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: ThOS
a: 3.963
b: 3.963
c: 6.746
alpha: 90
beta: 90
gamma: 90
cell_volume: 105.948
crystal_density: 8.780
atoms_sites: ["Th", "O", "S"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ADUMAAAAAABgfScA
atoms_occupancy: 0
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qdat:
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formula: Th O Se
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: ThOSe
a: 4.038
b: 4.038
c: 7.03
alpha: 90
beta: 90
gamma: 90
cell_volume: 114.627
crystal_density: 9.474
atoms_sites: ["Th", "O", "Se"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAADAcyYA
atoms_occupancy: 0
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qdat:
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formula: Th O Te
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: ThOTe
a: 4.118
b: 4.118
c: 7.549
alpha: 90
beta: 90
gamma: 90
cell_volume: 128.015
crystal_density: 9.745
atoms_sites: ["Th", "O", "Te"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAADAcyYA
atoms_occupancy: 0
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qdat:
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formula: Tm O I
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: TmOI
a: 3.895
b: 3.895
c: 9.184
alpha: 90
beta: 90
gamma: 90
cell_volume: 139.331
crystal_density: 7.433
atoms_sites: ["Tm", "O", "I"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: IKEHAAAAAAAAgSkA
atoms_occupancy: 0
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qdat:
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formula: U O S
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: UOS
a: 3.843
b: 3.843
c: 6.694
alpha: 90
beta: 90
gamma: 90
cell_volume: 98.861
crystal_density: 9.611
atoms_sites: ["U", "O", "S"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ADUMAAAAAADA8CYA
atoms_occupancy: 0
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qdat:
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formula: Y O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
formula_title: YOCl
a: 3.903
b: 3.903
c: 6.597
alpha: 90
beta: 90
gamma: 90
cell_volume: 100.495
crystal_density: 4.638
atoms_sites: ["Y", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: gPwKAAAAAAAAECcA
atoms_occupancy: 0
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qdat:
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formula: Fe O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: FeOCl
a: 3.75
b: 3.3
c: 7.65
alpha: 90
beta: 90
gamma: 90
cell_volume: 94.669
crystal_density: 3.764
atoms_sites: ["Fe", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAAAAAAAA
atoms_z: oOsFACDv+v+gnRIA
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
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formula: I O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: IOCl
a: 4.065
b: 3.523
c: 8.080
alpha: 90
beta: 90
gamma: 90
cell_volume: 115.714
crystal_density: 5.119
atoms_sites: ["I", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAAAAAAAA
atoms_z: oGIHAEAr/v+gDhUA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: I O Br
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: IOBr
a: 4.049
b: 3.611
c: 8.649
alpha: 90
beta: 90
gamma: 90
cell_volume: 126.457
crystal_density: 5.852
atoms_sites: ["I", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAAAAAAAA
atoms_z: oOUGAIDH/v8AghQA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Al O Cl
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: AlOCl
a: 3.62
b: 3.61
c: 7.67
alpha: 90
beta: 90
gamma: 90
cell_volume: 100.233
crystal_density: 2.599
atoms_sites: ["Al", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAAAAAAAA
atoms_z: wEUEAIBW/P+ATxIA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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qdat:
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formula: Pb Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 9.030
b: 7.608
c: 4.525
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.869
crystal_density: 5.942
atoms_sites: ["Pb", "Cl1", "Cl2"]
atoms_x: wNUFAGCHBAAgFjMA
atoms_y: EPkPACCNNAAAGh0A
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Pb Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PbBr2
a: 9.466
b: 8.068
c: 4.767
alpha: 90
beta: 90
gamma: 90
cell_volume: 364.064
crystal_density: 6.696
atoms_sites: ["Pb", "Br1", "Br2"]
atoms_x: YE8FAMBFBADAqDIA
atoms_y: oCwQAIB9NAAATB0A
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb F2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: PbF2
a: 7.63574
b: 6.42689
c: 3.89098
alpha: 90
beta: 90
gamma: 90
cell_volume: 190.946
crystal_density: 8.529
atoms_sites: ["Pb", "F1", "F2"]
atoms_x: YEkGACAwBQDApfT/
atoms_y: gOQOAEBeNACgZxsA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb (O Cl) H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: <missing>
a: 9.7
b: 7.1
c: 4.05
alpha: 90
beta: 90
gamma: 90
cell_volume: 278.923
crystal_density: 6.183
atoms_sites: ["Pb", "O-H", "Cl"]
atoms_x: AF8FACChBwBgtfT/
atoms_y: gHMMAGC4MgAgoBwA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Pb (O I) H
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Pb(OH)I
a: 10.41
b: 7.80
c: 4.19
alpha: 90
beta: 90
gamma: 90
cell_volume: 340.220
crystal_density: 6.855
atoms_sites: ["Pb", "O-H", "I"]
atoms_x: oPEEAABrAwCAA/X/
atoms_y: IAwLAGAvNABgxRsA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Th S2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ThS2
a: 8.617
b: 7.263
c: 4.267
alpha: 90
beta: 90
gamma: 90
cell_volume: 267.051
crystal_density: 7.366
atoms_sites: ["Th", "S1", "S2"]
atoms_x: IKEHAIAmBACAA/X/
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formula: Th Se2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ThSe2
a: 9.064
b: 7.610
c: 4.420
alpha: 90
beta: 90
gamma: 90
cell_volume: 304.879
crystal_density: 8.496
atoms_sites: ["Th", "Se1", "Se2"]
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formula: P Co2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Co2P
a: 6.608
b: 5.646
c: 3.513
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.066
crystal_density: 7.543
atoms_sites: ["P", "Co1", "Co2"]
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formula: P Ru2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Ru2P
a: 6.896
b: 5.902
c: 3.859
alpha: 90
beta: 90
gamma: 90
cell_volume: 157.062
crystal_density: 9.858
atoms_sites: ["P", "Ru1", "Ru2"]
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formula: P Re2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Re2P
a: 10.040
b: 5.540
c: 2.939
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.472
crystal_density: 16.390
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formula: Sr Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: SrBr2
a: 9.20
b: 11.42
c: 4.3
alpha: 90
beta: 90
gamma: 90
cell_volume: 451.775
crystal_density: 3.638
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formula: Sr H2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: SrH2
a: 7.343
b: 6.364
c: 3.875
alpha: 90
beta: 90
gamma: 90
cell_volume: 181.082
crystal_density: 3.288
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formula: Yb D2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: YbD2
a: 6.763
b: 5.871
c: 3.561
alpha: 90
beta: 90
gamma: 90
cell_volume: 141.392
crystal_density: 8.318
atoms_sites: ["Yb", "D1", "D2"]
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formula: Ge Rh2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Rh2Ge
a: 7.57
b: 5.44
c: 4.00
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.723
crystal_density: 11.227
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formula: Si Co2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Co2Si
a: 7.109
b: 4.918
c: 3.738
alpha: 90
beta: 90
gamma: 90
cell_volume: 130.688
crystal_density: 7.418
atoms_sites: ["Si", "Co1", "Co2"]
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formula: Si Ni2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Ni2Si
a: 7.03
b: 4.99
c: 3.72
alpha: 90
beta: 90
gamma: 90
cell_volume: 130.496
crystal_density: 7.404
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formula: Zr As2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: ZrAs2
a: 9.027
b: 6.801
c: 3.689
alpha: 90
beta: 90
gamma: 90
cell_volume: 226.477
crystal_density: 14.140
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formula: Hg Cl2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: HgCl2
a: 4.325
b: 12.735
c: 5.963
alpha: 90
beta: 90
gamma: 90
cell_volume: 328.435
crystal_density: 5.491
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formula: Hg Br2
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: HgBr2
a: 4.624
b: 12.445
c: 6.798
alpha: 90
beta: 90
gamma: 90
cell_volume: 391.196
crystal_density: 12.238
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formula: Hg (Cl Br)
compound: <missing>
pub_title: Second edition. Interscience Publishers, New York, New York
formula_title: Hg(Cl,Br)2
a: 4.10
b: 13.17
c: 6.78
alpha: 90
beta: 90
gamma: 90
cell_volume: 366.100
crystal_density: 5.732
atoms_sites: ["Hg", "Cl1", "Br1", "Cl2", "Br2"]
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formula: Au Cu3
compound: <missing>
pub_title: Copper-gold alloy, Cu3Au
formula_title: <missing>
a: 3.74
b: 3.74
c: 3.74
alpha: 90
beta: 90
gamma: 90
cell_volume: 52.314
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formula: Pb U Si O6
compound: <missing>
pub_title: Structure de la kasolite
formula_title: <missing>
a: 6.66
b: 6.96
c: 13.23
alpha: 90
beta: 104
gamma: 90
cell_volume: 595.042
crystal_density: 6.355
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formula: Ca Ta2 O6
compound: Synthetic
pub_title: Crystal structure of orthorhombic CaTa2O6
formula_title: <missing>
a: 11.068
b: 7.505
c: 5.378
alpha: 90
beta: 90
gamma: 90
cell_volume: 446.725
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formula: Hg O
compound: Synthetic
pub_title: Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI
formula_title: <missing>
a: 6.6129
b: 5.5208
c: 3.5219
alpha: 90
beta: 90
gamma: 90
cell_volume: 128.579
crystal_density: 11.189
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formula: Na I Hg2 O2
compound: Synthetic
pub_title: Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI
formula_title: NaIHg2O2
a: 6.667
b: 6.667
c: 10.054
alpha: 90
beta: 90
gamma: 120
cell_volume: 387.017
crystal_density: 7.505
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formula: Si2 N2 O
compound: Synthetic
pub_title: Structure of Si2N2O
formula_title: <missing>
a: 8.843
b: 5.473
c: 4.835
alpha: 90
beta: 90
gamma: 90
cell_volume: 234.003
crystal_density: 2.844
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formula: Mg3 P2 O8
compound: Synthetic
pub_title: The crystal structure of Mg3(PO4)2
formula_title: <missing>
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b: 8.2305
c: 5.0775
alpha: 90
beta: 94.05
gamma: 90
cell_volume: 316.634
crystal_density: 2.757
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compound: Terlingua, Texas, USA
pub_title: The crystal structure of terlinguaite Hg4O2Cl2
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 Crystal structure refinement of Cr3C2
 Note: values obtained from intensities recorded photographically

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 Crystal structure refinement of Cr3C2
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 Compounds with the marcasite type crystal structure
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 Note: Powder X-ray diffractometer with strip charts

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 Compounds with the marcasite type crystal structure
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 Compounds with the marcasite type crystal structure
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pub_title:
 Compounds with the marcasite type crystal structure
 IV. The crystal structure of FeSb2
 Note: Powder X-ray counted by step-scanning

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pub_title:
 Compounds with the marcasite type crystal structure
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pub_title:
 Compounds with the marcasite type crystal structure
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pub_title: Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5
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pub_title:
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2

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pub_title:
 Compounds of the marcasite type crystal structure. IX. Structural data for
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formula_title: <missing>
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pub_title:
 Compounds of the marcasite type crystal structure. IX. Structural data for
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formula: Rh Sb
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pub_title: On the MnP type structure of RuSb and RhSb
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pub_title: On the MnP type structure of RuSb and RhSb
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pub_title:
 Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2

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pub_title:
 Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2

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pub_title:
 Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2

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formula: Ti C
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formula_title: <missing>
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pub_title:
 The temperature factor parameters of some transition metal carbides and
 nitrides by single crystal X-ray and neutron diffraction

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formula: (Cr.79 Fe.21) As2
compound: <missing>
formula_title: Cr.79Fe.21As2
a: 5.4174
b: 6.2433
c: 2.9803
alpha: 90
beta: 90
gamma: 90
cell_volume: 100.801
crystal_density: 6.677
atoms_sites: ["Cr", "Fe", "As"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2

qdat:
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formula: (Fe.37 Ni.63) As2
compound: <missing>
formula_title: Cr.63Fe.37As2
a: 5.3971
b: 6.1893
c: 2.9539
alpha: 90
beta: 90
gamma: 90
cell_volume: 98.673
crystal_density: 6.983
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2

qdat:
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formula: (Cr.47 Fe.53) As2
compound: Synthetic
formula_title: <missing>
a: 5.3771
b: 6.1368
c: 2.9309
alpha: 90
beta: 90
gamma: 90
cell_volume: 96.714
crystal_density: 7.001
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.53Cr.47As2

qdat:
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formula: (Cr.32 Fe.68) As2
compound: Synthetic
formula_title: <missing>
a: 5.3544
b: 6.0853
c: 2.9112
alpha: 90
beta: 90
gamma: 90
cell_volume: 94.856
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.68Cr.32As2

qdat:
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formula: Fe As2
compound: Synthetic
formula_title: <missing>
a: 5.3013
b: 5.9859
c: 2.8822
alpha: 90
beta: 90
gamma: 90
cell_volume: 91.461
crystal_density: 7.469
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: FeAs2

qdat:
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formula: (Fe.75 Ni.25) As2
compound: Synthetic
formula_title: <missing>
a: 5.2309
b: 5.9555
c: 2.9693
alpha: 90
beta: 90
gamma: 90
cell_volume: 92.501
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.75Ni.25As2

qdat:
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formula: (Fe.5 Ni.5) As2
compound: Synthetic
formula_title: <missing>
a: 5.1377
b: 5.9205
c: 3.1077
alpha: 90
beta: 90
gamma: 90
cell_volume: 94.529
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.5Ni.5As2

qdat:
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formula: Ni As2
compound: Synthetic
formula_title: <missing>
a: 4.7583
b: 5.7954
c: 3.5449
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.755
crystal_density: 7.085
atoms_sites: ["Ni", "As"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: NiAs2

qdat:
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formula: Cr Sb2
compound: <missing>
formula_title: CrSb2
a: 6.0275
b: 6.8738
c: 3.2715
alpha: 90
beta: 90
gamma: 90
cell_volume: 135.544
crystal_density: 7.240
atoms_sites: ["Cr", "Sb"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2

qdat:
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formula: (Cr.93 Fe.07) Sb2
compound: <missing>
formula_title: Cr.93Fe.07Sb2
a: 6.0205
b: 6.8491
c: 3.2628
alpha: 90
beta: 90
gamma: 90
cell_volume: 134.542
crystal_density: 7.301
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formula: (Cr.88 Fe.12) Sb2
compound: <missing>
formula_title: Cr.88Fe.12Sb2
a: 6.0156
b: 6.8341
c: 3.2569
alpha: 90
beta: 90
gamma: 90
cell_volume: 133.895
crystal_density: 7.341
atoms_sites: ["Cr", "Fe", "Sb"]
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formula: (Cr.72 Fe.28) Sb2
compound: <missing>
formula_title: Cr.72Fe.28Sb2
a: 5.9862
b: 6.7810
c: 3.2370
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.398
crystal_density: 7.496
atoms_sites: ["Cr", "Fe", "Sb"]
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formula: (Cr.6 Fe.4) Sb2
compound: <missing>
formula_title: Cr.60Fe.40Sb2
a: 5.9632
b: 6.7391
c: 3.2233
alpha: 90
beta: 90
gamma: 90
cell_volume: 129.533
crystal_density: 7.616
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qdat:
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formula: (Cr.45 Fe.55) Sb2
compound: Synthetic
formula_title: <missing>
a: 5.9378
b: 6.886
c: 3.2147
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.442
crystal_density: 7.520
atoms_sites: ["Cr", "Fe", "Sb"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.55Cr.45Sb2

qdat:
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formula: (Cr.21 Fe.79) Sb2
compound: Synthetic
formula_title: <missing>
a: 5.8833
b: 6.6072
c: 3.2004
alpha: 90
beta: 90
gamma: 90
cell_volume: 124.406
crystal_density: 7.970
atoms_sites: ["Cr", "Fe", "Sb"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.79Cr.21Sb2

qdat:
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formula: Fe Sb2
compound: Synthetic
formula_title: <missing>
a: 5.8328
b: 6.7356
c: 3.1973
alpha: 90
beta: 90
gamma: 90
cell_volume: 125.614
crystal_density: 7.914
atoms_sites: ["Fe", "Sb"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: FeSb2

qdat:
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formula: (Fe.75 Ni.25) Sb2
compound: Synthetic
formula_title: <missing>
a: 5.7535
b: 6.4928
c: 3.2681
alpha: 90
beta: 90
gamma: 90
cell_volume: 122.084
crystal_density: 8.163
atoms_sites: ["Fe", "Ni", "Sb"]
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.75Ni.25Sb2

qdat:
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formula: (Fe.5 Ni.5) Sb2
compound: Synthetic
formula_title: <missing>
a: 5.6417
b: 6.4402
c: 3.3855
alpha: 90
beta: 90
gamma: 90
cell_volume: 123.008
crystal_density: 8.120
atoms_sites: ["Fe", "Ni", "Sb"]
atoms_x: AAAAAAAAAADA/AsA
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.5Ni.5Sb2

qdat:
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formula: Ni Sb2
compound: Synthetic
formula_title: <missing>
a: 5.1837
b: 6.3184
c: 3.4808
alpha: 90
beta: 90
gamma: 90
cell_volume: 114.006
crystal_density: 8.803
atoms_sites: ["Ni", "Sb"]
atoms_x: AAAAAFBcDQA=
atoms_y: AAAAABDuFQA=
atoms_z: AAAAAAAAAAA=
atoms_occupancy: 0
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pub_title:
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: NiSb2

qdat:
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formula: Co (As.95 Sb.05)
compound: <missing>
pub_title: On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
formula_title: <missing>
a: 5.16
b: 3.54
c: 5.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 107.224
crystal_density: 8.437
atoms_sites: ["Co", "As", "Sb"]
atoms_x: sE8AAKBdDACgXQwA
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formula: (Co.9 Ni.1) As
compound: Synthetic
pub_title: On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
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formula: Tl Fe2 S3
compound: Allchar, FYR Macedonia
pub_title: Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia
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formula: Cu3 Ba V2 O10 H2
compound: Chigou black shale system, Ankang county, Shaanxi Province, China
pub_title: Redetermination of the crystal structure of vesignieite Note: y- and z-coordinates of Ba altered
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formula: Pb W O4
compound: Yaogangxian, Hunan Province, China
pub_title: Discovery of stolzite in China and refinement of its crystal structure
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formula: (Pt.5 In.5)
compound: China
formula_title: <missing>
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b: 3.948
c: 3.948
alpha: 90
beta: 90
gamma: 90
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crystal_density: 16.725
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pub_title:
 A preliminary study of some new minerals of the
 platinum-group and another associated new one in
 platinum-bearing intrusions in a region of China

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formula: (Ir2.913 Pt.072 Rh.012 Os.003) (Fe.91 Cu.08 Ni.005 Co.005)
compound: Placer deposits off the Luanhe River, China
pub_title: Chengdeite - ordered natural iron-iridium alloy
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formula: Pt In2
compound: <missing>
pub_title: Damiaoite - a new native indium and platinum alloy Fluorite structure
formula_title: <missing>
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formula: Pt3 In
compound: Yixun River, 270 km north of Beijing, China
pub_title: Yixunite - an ordered new native indium and platinum alloy
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formula: Bi Pt Cu S3
compound: Yanshan Mountains, Hebei, China
pub_title: Lisiguangite, CuPtBiS3, a new platinum-group mineral from the Yanshan Mountains, Hebei, China
formula_title: <missing>
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formula: Ag U V O6
compound: <missing>
pub_title: Ag2(UO2)2V2O8: a new compound with the carnotite structure. Synthesis, structure and properties
formula_title: Ag2(UO2)2V2O8
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formula: Ba2 Y Cu3 O6.04
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pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001431
formula_title: Ba2 Cu3 O6.04 Y
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formula: Ba2 Y Cu3 O7.34
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pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001432
formula_title: Ba2 Cu3 O7.34 Y
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formula: Ba1.5 La1.5 Cu3 O7.36
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pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001433
formula_title: Ba1.5 Cu3 La1.5 O7.36
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formula: Ba2 Nd Cu3 O6.85
compound: <missing>
pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001434
formula_title: Ba2 Cu3 Nd O6.85
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formula: Ba2 Y Cu3 O6.92
compound: <missing>
pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001435
formula_title: Ba2 Cu3 O6.92 Y
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formula: Ba2 Er Cu3 O6.99
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pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001436
formula_title: Ba2 Cu3 Er O6.99
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formula: As2 O5
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pub_title: Kristallstruktur von As2O5
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formula: Nb B O4
compound: Synthetic
formula_title: <missing>
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gamma: 90
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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die
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 Note: data from ICSD

qdat:
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formula: Na Ta3 O8
compound: <missing>
formula_title: NaTa3O8
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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
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 Note: data from ICSD

qdat:
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formula: Na Nb3 O8
compound: <missing>
formula_title: NaNb3O8
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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
 kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8
 Note: data from ICSD

qdat:
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formula: K Cl
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: <missing>
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formula: K Br
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: KBr
a: 6.5847
b: 6.5847
c: 6.5847
alpha: 90
beta: 90
gamma: 90
cell_volume: 285.501
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formula: K I
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: KI
a: 7.0491
b: 7.0491
c: 7.0491
alpha: 90
beta: 90
gamma: 90
cell_volume: 350.268
crystal_density: 3.148
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formula: Rb Cl
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: RbCl
a: 6.5790
b: 6.5790
c: 6.5790
alpha: 90
beta: 90
gamma: 90
cell_volume: 284.760
crystal_density: 2.821
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formula: Rb Br
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: RbBr
a: 6.8768
b: 6.8768
c: 6.8768
alpha: 90
beta: 90
gamma: 90
cell_volume: 325.206
crystal_density: 3.378
atoms_sites: ["Rb", "Br"]
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formula: Rb I
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: RbI
a: 7.3291
b: 7.3291
c: 7.3291
alpha: 90
beta: 90
gamma: 90
cell_volume: 393.688
crystal_density: 3.583
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formula: Rb (Br.4 I.6)
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: Rb(Br.4I.6)
a: 7.1560
b: 7.1560
c: 7.1560
alpha: 90
beta: 90
gamma: 90
cell_volume: 366.447
crystal_density: 3.509
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formula: Rb (Cl.6 Br.4)
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: Rb(Cl.6Br.4)
a: 6.7149
b: 6.7149
c: 6.7149
alpha: 90
beta: 90
gamma: 90
cell_volume: 302.774
crystal_density: 3.043
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formula: (Rb.7 K.3) Cl
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: (K.3Rb.7)Cl
a: 6.4958
b: 6.4958
c: 6.4958
alpha: 90
beta: 90
gamma: 90
cell_volume: 274.093
crystal_density: 2.593
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formula: K (Br.4 I.6)
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: K(Br.4I.6)
a: 6.8717
b: 6.8717
c: 6.8717
alpha: 90
beta: 90
gamma: 90
cell_volume: 324.483
crystal_density: 3.013
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formula: Cs Cl
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: CsCl
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b: 4.1150
c: 4.1150
alpha: 90
beta: 90
gamma: 90
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formula: Cs Br
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: CsBr
a: 4.2812
b: 4.2812
c: 4.2812
alpha: 90
beta: 90
gamma: 90
cell_volume: 78.469
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formula: Cs (Cl.4 Br.6)
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: Cs(Cl.4Br.6)
a: 4.2228
b: 4.2228
c: 4.2228
alpha: 90
beta: 90
gamma: 90
cell_volume: 75.301
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formula: O6 Ta2 Cr
compound: <missing>
pub_title: Structure cristalline et proprietes de l'oxyde Ta2CrO6 _cod_database_code 1001091
formula_title: Ta2CrO6
a: 4.745
b: 4.745
c: 9.305
alpha: 90
beta: 90
gamma: 90
cell_volume: 209.502
crystal_density: 8.083
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formula: Ba2 Fe U O6
compound: <missing>
pub_title: Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001094
formula_title: Ba2FeUO6
a: 8.361
b: 8.361
c: 8.361
alpha: 90
beta: 90
gamma: 90
cell_volume: 584.487
crystal_density: 7.552
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formula: Ba (Cr.5 U.5) O3
compound: <missing>
pub_title: Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001095
formula_title: Ba2CrUO6
a: 8.301
b: 8.301
c: 8.301
alpha: 90
beta: 90
gamma: 90
cell_volume: 571.994
crystal_density: 7.672
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formula: Pb2 Sn2 O7
compound: <missing>
pub_title: Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X _cod_database_code 1001092
formula_title: Pb2Sn2O6(H2O)
a: 10.7186
b: 10.7186
c: 10.7186
alpha: 90
beta: 90
gamma: 90
cell_volume: 1231.443
crystal_density: 8.240
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formula: (Cu.86 Fe2.14) O4
compound: <missing>
pub_title: Contribution a l'etude du ferrite cuivreux et de ses solutions solides avec le ferrite cuivrique
formula_title: <missing>
a: 8.394
b: 8.394
c: 8.394
alpha: 90
beta: 90
gamma: 90
cell_volume: 591.435
crystal_density: 5.349
atoms_sites: ["CuA", "FeA", "CuB", "FeB", "O"]
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formula: Ba2 Mn U O6
compound: <missing>
formula_title: Ba2MnUO6
a: 8.469
b: 8.469
c: 8.469
alpha: 90
beta: 90
gamma: 90
cell_volume: 607.430
crystal_density: 7.257
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pub_title:
 Determinations crystallographiques et magnetiques sur l'oxyde mixte de
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formula: (Cd Pb) O3
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pub_title: Sur un oxyde double Cd Pb O3 de type c des oxydes de lanthanides _cod_database_code 1001048
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formula: Zn Mn2 O4
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pub_title: Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4
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formula: Fe2.6 Sn.4 O4
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pub_title: Preparation et proprietes cristallographioues des phases Fe3-x Snx O4 _cod_database_code 1001050
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formula: Fe2.5 Sn.5 O4
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pub_title: Preparation et proprietes cristallographiques des phases Fe3-x Snx O4 _cod_database_code 1001051
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formula: Mn Sn O3
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formula_title: Mn O3 Sn
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pub_title:
 Preparation et characterisation de la variete ilmenite des stannates de
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formula: Ca Sn O3
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pub_title:
 Preparation et characterisation de la variete ilmenite des stannates de
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formula: Br3 Cd4 (As P)
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formula: Pb5 Cl As3 O9
compound: Langban, Varmland, Sweden
pub_title: Der strukturtyp von finnemanit, Pb5Cl(AsO3)3
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formula: Bi2 As O6 H
compound: Schneeberg, Saxony, Germany
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formula: Bi V O4
compound: Schneeberg, Saxony, Germany
pub_title: Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
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formula: Fe.48 O
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formula: Fe.39 O.595
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formula: Ti Ni
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formula_title: NiTi
a: 2.8837
b: 4.6674
c: 4.1062
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beta: 90
gamma: 97.938
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 Correction of intensities for preferred orientation in neutron-diffraction
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formula: Sr
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pub_title:
 Crystal structure of strontium metal above 35 kbar and its relation
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 Sample: at P = 4.2 GPa & T = room T

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pub_title:
 Crystal structure of strontium metal above 35 kbar and its relation
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formula: Bi (K.13 Ba.87) O3
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pub_title: Oxygen atom thermal vibration anisotropy in Ba0.87 K0.13 Bi O3. _cod_database_code 1004099
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formula: Cu As.667 O3 H.667
compound: near Nice, France
pub_title: Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure
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formula: La F3
compound: Osterby, parish of Skedevi, Dalecarlia, Sweden
pub_title: On the crystal structure of fluorides of the tysonite LaF3 type
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formula: Zn Sb2 O6
compound: Synthetic
pub_title: The crystal structure of zinc metantimonate and similar compounds
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formula: Cu Sb2 O6
compound: Synthetic
pub_title: The crystal structure of zinc metantimonate and similar compounds
formula_title: CuSb2O6
a: 4.62
b: 4.62
c: 9.28
alpha: 90
beta: 88.5
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crystal_density: 6.760
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formula: Mn Ca2 As2 O10 H4
compound: Harstigen mine, Sweden
pub_title: The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O
formula_title: <missing>
a: 5.65
b: 12.80
c: 5.65
alpha: 90
beta: 80.5
gamma: 90
cell_volume: 403.004
crystal_density: 3.700
atoms_sites: ["Mn", "Ca", "As", "O1", "O2", "O3", "O4", "Wat"]
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formula: Cu Na2 S2 O10 H4
compound: Chuquicamata, Chile
pub_title: The crystal structures of krohnkite, CuNa2(SO4)2*2H2O and brandtite, MnCa2(AsO4)2*2H2O
formula_title: <missing>
a: 5.78
b: 12.58
c: 5.48
alpha: 90
beta: 71.5
gamma: 90
cell_volume: 377.873
crystal_density: 2.968
atoms_sites: ["Cu", "Na", "S", "O1", "O2", "O3", "O4", "Wat"]
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formula: Pb5 Cl As3 O9
compound: Langban, Varmland, Sweden
pub_title: The crystal structure of finnemanite Pb5Cl(AsO3)3
formula_title: <missing>
a: 10.28
b: 10.28
c: 7
alpha: 90
beta: 90
gamma: 120
cell_volume: 640.641
crystal_density: 7.466
atoms_sites: ["Pb1", "Pb2", "Pb3", "Cl", "As", "O1", "O2", "O3"]
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formula: Pb Bi Cl O2
compound: Langban, Sweden
pub_title: Perite, a new oxyhalide mineral from Langban, Sweden
formula_title: <missing>
a: 5.627
b: 5.575
c: 12.425
alpha: 90
beta: 90
gamma: 90
cell_volume: 389.779
crystal_density: 8.241
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formula: Mn2.81 W.4 Mg.3 Si O7
compound: Langban, Sweden
pub_title: The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7
formula_title: <missing>
a: 8.155
b: 8.155
c: 4.785
alpha: 90
beta: 90
gamma: 120
cell_volume: 275.588
crystal_density: 4.523
atoms_sites: ["Mn4+1", "W1", "Mn2+2", "W2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: Ni
compound: Synthetic
pub_title: X-ray studies on the binary system Ni-S
formula_title: <missing>
a: 3.516
b: 3.516
c: 3.516
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.466
crystal_density: 8.969
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formula: Ni3 S4
compound: Synthetic
pub_title: X-ray studies on the binary system Ni-S Note: spinel structure
formula_title: <missing>
a: 9.457
b: 9.457
c: 9.457
alpha: 90
beta: 90
gamma: 90
cell_volume: 845.785
crystal_density: 4.780
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