# cif

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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAQAAAIAgAACAAAAAAAAAAQAAgAAACAACCAACQAAEACQAAIAACACAAFAAQAAUAIgAAIChAAAAAKCFAAYAEQoIAICAQAAIWAIAkRAghAgQMoIIBQAEwhDCAABDYAQJNA==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAhAAAAgAAAAAAAAEAABAAIAAAAkAQBAAAgEEAEAAACAAgBCAAQBAgAUIACgQAAAAKEBEAgiAiiCAAAgEEACKEABRSFACEogiAEIQAKQwAEEDAEgiUwoURCAiACEJ==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAABAAAAgEAAAIAAAAAAAAACAACAAABAAAQQAAiAABAAUAAEAAAgAgABQAEAAFACIAAIBRAAAAAFCBgAUACQMIAIBAIAAINAEATAhAmAQEQYgIBQAgxBMBAABYYAQJwkD==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAACAAAAEQAAAEAAAAAAAABAAAgAQAAAASAgBAAAgIEAIAAACAAgEEAAQEBAAqAAiAgAAACIQEIECgCkIgAAEASAAhZAAKgSQEBQIIgBUEAJEoABQCgESBgaEkVCIIACGECx==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAQAAAEAgAABAAAAAAAAAAgAAgAABAAAIIABCAAAgAIAAIAAAgAgABAAEAAiAEQACAEgAAAAAJAEACQAMAkAEAEAgAEBIBACQIgZAEBIGACAkBAJAkAgABwEAIGgQCgE==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAACAAACABAAAIAAAAAAAAAACAAIAAAAAQAICAAAKAABAAgIAAEAAEAIAAQEAQAABgEEAAAAHABAAAAQQEUADABAJIAQAMBAAAAnAAgiAgEJAMKACYghBgABCIYBiA==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAEAAACACAAAIAAAAAAAAAAEAAIAAAAAgAICAAAYAACABAQAAIAAIAIAAQIAgAABAEEAAAAiAEAAAAggGIAGABAMQCABIBAAAAmACAiAggkAmCAGMAoBAABKCQEwA==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAACAAAAQIAAAIAAAAAAAAAIAAEAACAAAAiABAgAAQASAAQAAAQAIACQABAAhABIAgAMQAAAAAcAKAEICIDgBAAEAgBAFIEECgUQgAKFEMACCMAA5CABABEAQAUZgkRAUB==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAQAACABAAAgAAAAAAAAAAgAEAAAAABAgEAAAhAAIAQAQAAQAEAQAAgBCAAAEgggAAAAmAAgAAgEQDAJAEBAQAICIgAAAiQAiECAADASQQgYGAOABAgCBEBACQYKIg==


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:
AAAAAAAAAAAAAAAAAAAAAAAIAAAAABgAEEQACIAAAAAAJABAABACAgBgQIEMwBIAIwAYIgQDCMGAGMqAAAo6AUjESqxGAEAFRiAyKR8oC38AmTUrPGCUqpHV6dmBeDF0DP4bIzfILM5eeOn2S+DEO7Ycvb1zl8uzy6pfm6==


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"]
atoms_x: AAAAAMD3EAA=
atoms_y: AAAAAEAYFgA=
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:
AAAAAAAAAAAAAAAAAAAAAAACAAAAAAACAAhgQAUAAAAAAAAwBAEAAABAwABgkICQECQBIERJYAAAJAMAAoUAWBMUAhAGLSpgEjAWBzAJYOIGkhFF8DGMoEkRwX6CxaeaAy/0uBLKDkhsy6mKbEtCkmFyy5mmTlu9MvxT3Q==


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"]
atoms_x: AAAAAAAAAAA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAACCcDAA=
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAghAAAAAAAAAAIAAAAACBAAAAAAASAAAAABAIAABBCAAAAQJQAAAAAAABCIABAggAAACCAAIkABBCoAAABAAiAAQAIAACAACBACIRAAAAABIAhCAACEAJAAgDAAA==


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>"
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:
AAAAAAAAAAAAAAAAAAAAAABAAAAAABQAAAAAQAEACAIESiGAAUEAAUAIkQACEQwkQqAAkAgWSlQCJAEHYlSClKChIMrTheAUIFZpH2IgwktiprKUmWtLY+xuJx7B9Glt8N/5nA1e2kqq87k8bd698eFe+r+/J3Z3Kz/vs1==


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:
AAAAAAAAAAAAAAAAAAAAAAAAABAAAABAAAAQAAAAAIACACCACACAAAAggAAAgCARAABEAgQgQEQAAIEBAECIIIAQaBBAEAghkMFAAIAwELAGghQxoQsAMIUIMAgIoBYiBDjNEqAoixNMUhwHEEjxFIhFoxyicVmUCicCox==


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>"
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:
AAAAAAAAAAAAAAAAAAAAACAAAAAAAAACCAAAAAAAAAAIACIAAQATAAAAAAAADAAEAkAAAgAABYAgIAEBABAUAAKAACAQOAAcABQACAIGAjAAYBjgAQAFADQAYEKDPAHACBjhBABQjRDgjgEAGGaIYAxXDOAUBQHDIJgHgU==


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:
AAAAAAAAAAAAAAAAAAAAABAAAAAAAADAAAAAAAAAAAAOAAAAHAAAAAAAACgAANgAACAAFgAAIAAQgAcgABgAAAE0AZwAoAECBqgAwAeARgAAK4IkAACVgzQKAAjnAAJQB1CUNpgQBjaEQAwaLMoCMSoNg0igVW0+ASxkhx==


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>"
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAEAQAAQAgAICAIAgACABAAAghgICgAAEABAwGAIABQQhQCAYig1ArACQGgGiNSkQCAQcmFQCBLBokoyi8T45NFMToHiVatlqmiaPzTZr27FtLgzPI1Poe1bD4tpKr/Xxg9qGu+==


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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAEQAAAAAEAEAACAEAABAAAQCBACCggAABAAACAQwQACECCBAAABgxBhBgAACMIYoABEAQAiAEBjIIBGEDCMgGYCISIYgIkBGrEKABrDIMQMGZBEQQsQZGsECdJkGQSNwNBQ==


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:
AAAAAAAAAAAAAAAIAAAQACAAEAAABAEACAQAiAAAAAkQCBACICAAogQwSIIIAQQgpACFIAwiCYYgMVCEEiYqEgsRAwECBjRMCBAQIIEOSFgigRAYoIgIIAoI4AKDCGElKYAxCCFAUQBAlKgSUAUpgIIACVICACIVUApAVD==


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:
AAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAEAAAAAAIAAAAAAwIAAAMAAAAgAAAABAUAQAEBAgADCCAQAEACAGhACAAAAADIAigACkgASB4ARACAUCAhABxAFADBE0BBAogAUYiSCAYGFIHxCgBKpCICGIEw00gwgYZrQEQnb==


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:
AAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAIAAAAAAMQAAADAAACAAAAAISABAQAFAAA4BAgCAAIBEwBAAAAAAJiEFBCpAAZAOEIAQCQBYAABYQ0gxIhCDaEIANBXAQNISEyTuiEAiZIsiiC4VTsBAjUKRhUa5PCYXFY==


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:
AAAAAAAAAAgAAAAAAAAAoAAAAACAACgAAQNICACAigACCAYABIgAgpQAjIAErQgUAA4oBQCojEAgDakCASCgEBNARQWjK4DggpCNBMAhgokRBAwakLARjdAxWVKF4UJWIB4CFrAFyQMgI+Gw7GDUSHhwvIWkA1gSwLSA2H==


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>"
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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
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 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=
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 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>"
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 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>"
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 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>"
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 (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>"
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 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
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 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
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
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
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: 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
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
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
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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
atoms_aniso_u23: 0
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=
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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"]
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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"]
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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"]
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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"]
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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"]
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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"]
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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"]
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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
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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"]
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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
atoms_sites: ["Ni", "Br"]
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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
atoms_sites: ["Ni", "Cl"]
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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
a: 3.892
b: 3.892
c: 19.634
alpha: 90
beta: 90
gamma: 120
cell_volume: 257.564
crystal_density: 6.044
atoms_sites: ["Ni", "I"]
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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
atoms_sites: ["Ta", "S"]
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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
a: 3.92
b: 3.92
c: 18.73
alpha: 90
beta: 90
gamma: 120
cell_volume: 249.253
crystal_density: 4.501
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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
a: 3.774
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
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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
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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
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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
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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
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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
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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
atoms_sites: ["W", "S"]
atoms_x: VVgUAFVYFAA=
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atoms_z: QEIPAKAlJgA=
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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=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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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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atoms_z: AAAAAEBCDwCgcxkA
atoms_occupancy: 0
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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"]
atoms_x: QEIPAEBBJABglSMA
atoms_y: 4P4HAMCwBwDghwYA
atoms_z: AAAAAGBVBAAgyhUA
atoms_occupancy: 0
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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"]
atoms_x: IPQOAIBmIwBARyMA
atoms_y: oFwIAGBJBgAgKgYA
atoms_z: QB8AAIAmBAAA+RUA
atoms_occupancy: 0
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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"]
atoms_x: UIIPAFB0CQBApxMA
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"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEByBwDA8REA
atoms_occupancy: 0
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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
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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
atoms_z: AAAAAAAAAAAAAAAA
atoms_occupancy: 0
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qdat:
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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
atoms_occupancy: 0
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qdat:
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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
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qdat:
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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
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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
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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
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u12: 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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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
atoms_u_iso: 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
atoms_u_iso: 0
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atoms_aniso_u23: 0
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
atoms_u_iso: 0
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atoms_aniso_u22: 0
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qdat:
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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
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atoms_aniso_label: "<missing>"
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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
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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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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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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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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>"
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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
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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
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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>"
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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
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: 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
atoms_aniso_label: "<missing>"
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qdat:
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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
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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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
atoms_aniso_label: "<missing>"
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qdat:
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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>"
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: 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
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
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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
atoms_y: gIQeAAAAAACAhB4A
atoms_z: ADUMAAAAAACAuSoA
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: 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
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 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
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 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
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: 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
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: 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
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: 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
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 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
atoms_aniso_label: "<missing>"
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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
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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
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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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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
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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
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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
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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
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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
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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/
atoms_y: QEIPAEDhMwCgYRwA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
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qdat:
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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"]
atoms_x: IKEHAMBFBACAA/X/
atoms_y: QEIPAAC2NQDArxwA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
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qdat:
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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"]
atoms_x: kJ8HAPDyAwDw4vX/
atoms_y: UAUPAAA/NABQmBwA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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qdat:
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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"]
atoms_x: cO0GAAB+BADgUfb/
atoms_y: 8PsOABBmNADALB0A
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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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
atoms_sites: ["P", "Re1", "Re2"]
atoms_x: wLYGAHD/AwDgmu7/
atoms_y: 4BsYAPCgMgAAfBUA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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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
atoms_sites: ["Sr", "Br1", "Br2"]
atoms_x: YMYGAGBDBwBAW/b/
atoms_y: 4Hb0/2BJBgDAeSUA
atoms_z: QEIPAEBCDwBAQg8A
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
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qdat:
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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
atoms_sites: ["Sr", "H1", "H2"]
atoms_x: QJwAAMA+GgDASS0A
atoms_y: AKYOAACmDgCAPgAA
atoms_z: QEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
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qdat:
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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"]
atoms_x: QJwAAMA+GgDASS0A
atoms_y: AKYOAACmDgCAPgAA
atoms_z: QEIPAEBCDwBAQg8A
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
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qdat:
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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
atoms_sites: ["Ge", "Rh1", "Rh2"]
atoms_x: IO0kAGCiDADg2SIA
atoms_y: oIQrACDFAQDg8gkA
atoms_z: QEIPAEBCDwBAQg8A
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: 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"]
atoms_x: 4EolAEBODQBATSIA
atoms_y: wNgqAMBRAgDAngoA
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: 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
atoms_sites: ["Si", "Ni1", "Ni2"]
atoms_x: wHklAOBjDADgXCIA
atoms_y: QJQrAECQAgBgrgoA
atoms_z: QEIPAEBCDwBAQg8A
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: 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
atoms_sites: ["Zr", "As1", "As2"]
atoms_x: QNj2/4CLCACA9SAA
atoms_y: gL4yAgAq7QEAXEQA
atoms_z: AGI9AQA+SQAAR4YA
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 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
atoms_sites: ["Hg", "Cl1", "Cl2"]
atoms_x: QA0DAMDHGADAMTEA
atoms_y: wLAHAGCQDwAARh4A
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: 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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pub_title: Second edition. Interscience Publishers, New York, New York
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formula: Au Cu3
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formula: Pb U Si O6
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compound: Terlingua, Texas, USA
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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
 Note: values obtained from intensities measured with scintillation counter

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pub_title:
 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
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 Note: Powder X-ray counted by step-scanning

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 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: The crystal structure of NaHSO4H2O
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formula: Ca2 Fe2 O5
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pub_title: Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5
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pub_title: Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3
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 Compounds of the marcasite type crystal structure. IX. Structural data for
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pub_title:
 Compounds with the marcasite type crystal structure. XII. Structural data for
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 Compounds with the marcasite type crystal structure. XII. Structural data for
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 The temperature factor parameters of some transition metal carbides and
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 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2

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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
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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>
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b: 6.1368
c: 2.9309
alpha: 90
beta: 90
gamma: 90
cell_volume: 96.714
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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>
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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
atoms_sites: ["Cr", "Fe", "Sb"]
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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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atoms_occupancy: gIQeAICEHgAACT0A
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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
atoms_y: QEIPAEBCDwBAQg8A
atoms_z: EEMMABCzIwAQsyMA
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qdat:
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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
formula_title: <missing>
a: 5.16
b: 3.54
c: 5.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 107.224
crystal_density: 8.290
atoms_sites: ["Co", "Ni", "As"]
atoms_x: cK0AAHCtAADQ6wwA
atoms_y: QEIPAEBCDwBAQg8A
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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: Fe.99 Mg.02 Mn.01 Al1.98 S4 O38 H44
compound: Recsk, Matra Mountains, Hungary
pub_title: Structural study of halotrichite from Recsk (Matra Mts., N-Hungary)
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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
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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: Fe5 Si4 O16
compound: Liaoning Province, China
formula_title: <missing>
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beta: 90
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pub_title:
 Ferrifayalite and its crystal structure
 Note: Reported SiO bond lengths of 1.9 could not be reproduced

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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
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formula: Al4 S O18 H18
compound: Felsobanya, Hungary
pub_title: Crystal structure determinations of felsobanyaite and basaluminite, Al4(SO4)(OH)10*4H2O
formula_title: <missing>
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formula: Ag U V O6
compound: <missing>
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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: Ba1.5 La1.5 Cu3 O7.36
compound: <missing>
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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compound: <missing>
pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001434
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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
compound: <missing>
pub_title: Structure-Property Relationships for RBa2Cu3Ox Phases _cod_database_code 1001436
formula_title: Ba2 Cu3 Er O6.99
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b: 3.8756
c: 11.6576
alpha: 90
beta: 90
gamma: 90
cell_volume: 172.240
crystal_density: 7.177
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formula: As2 O5
compound: <missing>
pub_title: Kristallstruktur von As2O5
formula_title: As2O5
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b: 8.450
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formula: Nb B O4
compound: Synthetic
formula_title: <missing>
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b: 6.2141
c: 5.476
alpha: 90
beta: 90
gamma: 90
cell_volume: 211.456
crystal_density: 5.268
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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die
 kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8
 Note: data from ICSD

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formula: Na Ta3 O8
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formula_title: NaTa3O8
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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
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 Note: data from ICSD

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pub_title:
 Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die
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 Note: data from ICSD

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formula: S12 C19.147
compound: <missing>
formula_title: S48
a: 10.410
b: 20.500
c: 19.480
alpha: 90
beta: 98.8
gamma: 90
cell_volume: 4108.193
crystal_density: 1.988
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pub_title:
 Preparation and Crystal Structure of C76(S8)6: A First Step towards the
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 _cod_database_code 1001668

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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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b: 6.2788
c: 6.2788
alpha: 90
beta: 90
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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
crystal_density: 2.769
atoms_sites: ["K", "Br"]
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formula: K I
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: KI
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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
atoms_sites: ["Rb", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
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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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atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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formula: Rb I
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: RbI
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b: 7.3291
c: 7.3291
alpha: 90
beta: 90
gamma: 90
cell_volume: 393.688
crystal_density: 3.583
atoms_sites: ["Rb", "I"]
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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
atoms_sites: ["Rb", "Br", "I"]
atoms_x: AAAAAICEHgCAhB4A
atoms_y: AAAAAICEHgCAhB4A
atoms_z: AAAAAICEHgCAhB4A
atoms_occupancy: AAk9AABqGAAAnyQA
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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
atoms_sites: ["Rb", "Cl", "Br"]
atoms_x: AAAAAICEHgCAhB4A
atoms_y: AAAAAICEHgCAhB4A
atoms_z: AAAAAICEHgCAhB4A
atoms_occupancy: AAk9AACfJAAAahgA
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qdat:
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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
atoms_sites: ["Rb", "K", "Cl"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: gLkqAIBPEgAACT0A
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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
atoms_sites: ["K", "Br", "I"]
atoms_x: AAAAAICEHgCAhB4A
atoms_y: AAAAAICEHgCAhB4A
atoms_z: AAAAAICEHgCAhB4A
atoms_occupancy: AAk9AABqGAAAnyQA
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formula: Cs Cl
compound: <missing>
pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: CsCl
a: 4.1150
b: 4.1150
c: 4.1150
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.680
crystal_density: 4.012
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formula: Cs (Cl.4 Br.6)
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pub_title: Lattice constants of some binary alkali halide solid solutions.
formula_title: Cs(Cl.4Br.6)
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formula: O6 Ta2 Cr
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pub_title: Structure cristalline et proprietes de l'oxyde Ta2CrO6 _cod_database_code 1001091
formula_title: Ta2CrO6
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formula: Ba2 Fe U O6
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pub_title: Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001094
formula_title: Ba2FeUO6
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formula: Ba (Cr.5 U.5) O3
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pub_title: Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001095
formula_title: Ba2CrUO6
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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)
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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>
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formula: Ba2 Mn U O6
compound: <missing>
formula_title: Ba2MnUO6
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b: 8.469
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beta: 90
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pub_title:
 Determinations crystallographiques et magnetiques sur l'oxyde mixte de
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formula: (Cd Pb) O3
compound: <missing>
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
compound: Synthetic
pub_title: Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4
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formula: Fe2.5 Sn.5 O4
compound: <missing>
pub_title: Preparation et proprietes cristallographiques des phases Fe3-x Snx O4 _cod_database_code 1001051
formula_title: Fe2.5 O4 Sn0.5
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formula: Rb (Ti3 Nb) O9
compound: <missing>
formula_title: Nb O9 Rb Ti3
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c: 14.918
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beta: 90
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pub_title:
 Titanoniobates et Titanotantalates avec une structure a tunnels: les
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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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formula_title: Ca O3 Sn
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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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pub_title: Structure cristalline de Cd4 P As Br3 _cod_database_code 1001323
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formula: (Ca.5 Li.5) (Fe1.5 Sn.5) O4
compound: <missing>
formula_title: Ca0.5 Fe1.5 Li0.5 O4 Sn0.5
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b: 10.869
c: 3.020
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beta: 90
gamma: 90
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pub_title:
 De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4:
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formula: Pb5 Cl As3 O9
compound: Langban, Varmland, Sweden
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formula: Bi2 As O6 H
compound: Schneeberg, Saxony, Germany
pub_title: Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
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formula: (Bi.66 Ca.34) Cu6 As3 O21 H12
compound: Tintic, Utah, USA
pub_title: Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
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pub_title: Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
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formula: Ba Fe10.288 Co.856 Ti.856 O19
compound: Synthetic
pub_title: Neutron powder diffraction study of (Co,Ti)-substituted fine-particle Ba-hexaferrite
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formula: Ti Ni
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formula_title: NiTi
a: 2.8837
b: 4.6674
c: 4.1062
alpha: 90
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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formula_title: <missing>
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pub_title:
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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: (Cu5.999 Zn1.001) S2 O21 H15.99
compound: Cap Garonne Mine, Var, France
pub_title: A note on the crystal structure of schulenbergite
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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: Cu2 Fe As3 O11 H4
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pub_title: Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description and crystal structure
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formula: K U V O6
compound: Synthetic
pub_title: On the crystal structure of KUO2VO4 (synthetic anhydrous carnotite)
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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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c: 9.24
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formula: Cu Sb2 O6
compound: Synthetic
pub_title: The crystal structure of zinc metantimonate and similar compounds
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b: 4.62
c: 9.28
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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>
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b: 12.80
c: 5.65
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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>
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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>
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b: 10.28
c: 7
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beta: 90
gamma: 120
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pub_title: The crystal structure of barytocalcite BaCa(CO3)2
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formula: Pb Bi Cl O2
compound: Langban, Sweden
pub_title: Perite, a new oxyhalide mineral from Langban, Sweden
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formula: Mn2.81 W.4 Mg.3 Si O7
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formula: Ba Si2 O8 H6
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pub_title: The crystal structure of krauskopfite
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formula: Na3 S N O8 H2
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pub_title: La struttura della darapskite
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formula: Mg2 P O4 F
compound: Hollgraben near Werfen, Austria
pub_title: The crystal structure of wagnerite
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formula: Ba Ca4 Si16 O48.4 H22.24
compound: Fresno County, California, USA
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formula: C19
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formula: N2 H10 Fe Cl5 O
compound: Synthetic
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formula: Bi2 Te4 O11
compound: Synthetic
pub_title: On the crystal structure of Bi2Te4O11
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formula: Ag3 Cu S2
compound: Synthetic
pub_title: Crystal structure determination of Ag3CuS2 from powder X-ray diffraction data
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formula: Zn1.06 Cu.94 (P.98 As.02) O5 H
compound: Block 14 open cut, Broken Hill, New South Wales, Australia
formula_title: <missing>
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b: 8.251
c: 5.861
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beta: 90
gamma: 90
cell_volume: 402.493
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pub_title:
 Zinc-rich zincolibethenite from Broken Hill, New South Wales
 Note: z-coordinate of O3 altered by communication with authors, April 2010

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formula: V.88 Cu1.12 P4 Al3.96 Fe.04 F2 O28.72 H21.68
compound: Great Australia mine, Concurry, Queensland, Australia
formula_title: <missing>
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cell_volume: 1146.437
crystal_density: 2.515
pub_title:
 Cloncurryite, Cu0.56(VO)0.44Al2(PO4)2(F,OH)2*5H2O, a new mineral from the Great Australia mine,
 Cloncurry, Queensland, Australia, and its relationship to nevadaite

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formula: Ca Cu U P2 O14 H8
compound: Lake Boga, Victoria, Australia
pub_title: Ulrichite: a new copper calcium uranium phosphate from Lake Boga, Victoria, Australia
formula_title: <missing>
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formula: Cu7.5 Cl.827 O28.487 N.021 S.056 H27.75
compound: Bisbee, Arizona, USA
pub_title: Connellite from Bisbee, Arizona: A single-crystal X-ray study
formula_title: <missing>
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formula: Sb3.4 Pb1.6 S7
compound: Oruro, Bolivia
pub_title: Etude chimique et structurale d'un sulfure naturel: la zinckenite
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formula: Ca2 (Mg.65 Co.35) As2 O10 H4
compound: Bou-Azzer, Morocco
formula_title: <missing>
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pub_title:
 Hydrogen bonding in the crystalline state. Structure of talmessite,
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formula: Mn3.54 Na1.02 Li.54 Ca1.42 Fe1.08 Mg.06 Al2.05 P5.82 O24.4 F1.6 H1.12
compound: Alberes, East Pyrenees, France
pub_title: The crystal structure of griphite, a complex phosphate, not a garnetoid
formula_title: <missing>
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c: 12.205
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gamma: 90
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formula: Ca2 Fe P2 O12 H8
compound: <missing>
formula_title: <missing>
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beta: 104.24
gamma: 70.76
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pub_title:
 Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O:
 hydrogen bonding and relationships with the bihydrated phase

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formula: Ca Mn As2 O10 H6
compound: Sainte Marie-aux-Mines, Alsace, France
pub_title: Fluckite, CaMn(HAsO4)2*2H2O, a structure related by pseudo-polytypism to krautite MnHAsO4*H2O
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formula: Fe3 P2 O16 H16
compound: Synthetic
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formula: Cu U V O10 H7
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pub_title: Structure cristalline de la sengierite
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formula_title: <missing>
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 The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O:
 disorder, hydrogen bonding, and polymorphism with guerinite

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formula: Al S O9 F H10
compound: <missing>
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formula: K2 Cu Si4 O10
compound: <missing>
pub_title: Crystallochemistry and thermochemistry of sodipotassic copper silicate Na2-2xK2xCuSi4O10
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formula: Mg Ca2 C2 B2 O18 H16
compound: <missing>
pub_title: The refinement of the crystal structure of carboborite MgCa2[CO3]2[B(OH)4]2*4H2O
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compound: a pegmatite of the Valmy, Alberes massif, Pyrenees, France
formula_title: <missing>
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pub_title:
 Magniotriplite: its crystal structure and relation to the triplite-triploidite group
 Note: IMA approved name for this mineral has been changed from magniotriplite

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formula_title: <missing>
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pub_title:
 Magniotriplite: its crystal structure and relation to the triplite-triploidite group
 Note: IMA approved name for this mineral is wagnerite

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formula: U2 P O10 H2
compound: Kobokobo pegmatite, Kivu, Zaire
formula_title: <missing>
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b: 16.760
c: 7.023
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beta: 90
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pub_title:
 La vanmeerscheite U(UO2)3(PO4)2(OH)6*4(H2O) et la
 meta-vanmeerscheite U(UO2)3(PO4)2(OH)6*2(H2O), nouveaux mineraux

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compound: <missing>
pub_title: Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)
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formula: Ca U6 O30 H22
compound: Shinkolobwe, Shaba, Zaire
pub_title: Nouvelle determination de la structure cristalline de la bequerelite
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formula: Pb2 U5 O22 H10
compound: Shinkolobwe, Shaba, Zaire
pub_title: La sayrite, Pb2[(UO2)5O6(OH)2]*4H2O, nouveau mineral; proprietes et structure cristalline
formula_title: <missing>
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formula: Al U3 P2 O23 H15
compound: Kobokobo, Kivu, Democratic Republic of the Congo
pub_title: Structure cristalline de l'upalite Al[(UO2)3O(OH)(PO4)2]*7H2O. Un exemple de macle mimetique
formula_title: <missing>
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formula: Cu4 S (O12 H10)
compound: Mazega, Aveyrone, France
pub_title: Structure cristalline de la langite, Cu4[SO4(OH)6H2O]*H2O
formula_title: <missing>
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formula: Ca.92 (Si6.876 Al2.124) O27.05 H18.1
compound: Capo Pula, Sardegna, Italy
formula_title: <missing>
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b: 18.214
c: 17.833
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pub_title:
 Crystal structural refinement of Ca-exchanged barrerite
 Note: made from natural barrierite in the lab

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formula: Na Mg S O6 F H4
compound: Cetine mine, Tuscany, Italy
pub_title: Uklonskovite, NaMg(SO4)F*2H2O: new mineralogical data and structure refinement
formula_title: <missing>
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formula: Ag2 Hg S2
compound: Tinerhir, Boulmane, Morocco
pub_title: L'imiterite, Ag2HgS2 nouvelle espece minerale; proprietes et structure cristalline
formula_title: <missing>
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formula: Na2 Ta4 O11
compound: Synthetic
pub_title: The crystal structure of synthetic natrotantite
formula_title: <missing>
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b: 6.2092
c: 36.6190
alpha: 90
beta: 90
gamma: 120
cell_volume: 1222.668
crystal_density: 7.707
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formula_title: <missing>
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pub_title:
 Les phosphates d'uranyle et d'aluminium de Kobokobo
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 proprietes et structure cristalline
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pub_title:
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compound: Richelle, Belgium
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pub_title:
 Drugmanite, Pb2(Fe0.78Al0.22)H(PO4)2(OH)2:
 Its crystal structure and place in the datolite group
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pub_title: Nouvelle determination de la structure cristalline de la dumonite Pb2[(UO2)3O2(PO4)2]*5H2O
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formula: Nd U3 P2 O22
compound: Kamoto, Shaba, Democratic Republic of Congo
formula_title: <missing>
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c: 13.668
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beta: 112.77
gamma: 90
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pub_title:
 La francoisite-(Nd), nouveau phosphate d'uranyle et
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pub_title:
 Etude cristallographique et magnetique de deux vanadates mixtes spinelles
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pub_title:
 Etude cristallographique et magnetique de deux vanadates mixtes spinelles
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pub_title:
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pub_title:
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pub_title:
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formula: Ca Cu3 Ti4 O12
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formula_title: Ca Cu3 O12 Ti4
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pub_title:
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formula: K Mg P3 O9
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formula: Bi O10 (Ta W2)
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formula_title: Bi O10 Ta W2
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pub_title:
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 apparentee aux bronzes hexagonaux de tungstene
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formula_title: H3 O7 Ta W
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pub_title:
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001163

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pub_title:
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001164

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pub_title:
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001165

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pub_title:
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001166

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pub_title:
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001167

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formula: Pb2 (Nb1.34 Ti.66) O6.67
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formula_title: Nb1.34 O6.67 Pb2 Ti0.66
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pub_title:
 Contribution a l'etude du compose Pb2-x M2 O7-y (M = Nb, Ti) de
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 _cod_database_code 1001052

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formula: Bi3 Ru3 O11
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pub_title: Structure cristalline de Bi3 Ru3 O11 _cod_database_code 1004040
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formula: Fe K3 O15 C6 H6
compound: Synthetic
formula_title: <missing>
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pub_title:
 Structure cristalline des trioxalates complexes de potassium II. Structure du
 ferrotrioxalate de potassium racemique et comparaison avec les trioxalates
 complexes actifs
 Note: C3'(y) changed to 0.259, but still unable to reproduce reported bond distances

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formula: O3 Ca.5 Ta
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pub_title:
 Contribution a l'etude de quelques oxydes doubles que forme le tantale
 avec l'etain, l'uranium et le calcium.
 _cod_database_code 1001184

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formula: O3 Sn.25 Ta
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formula_title: O3 Sn0.25 Ta
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pub_title:
 Contribution a l'etude de quelques oxydes doubles que forme le tantale
 avec l'etain, l'uranium et le calcium.
 _cod_database_code 1001185

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pub_title:
 Contribution a l'etude de quelques oxydes doubles que forme le tantale
 avec l'etain, l'uranium et le calcium.
 _cod_database_code 1001186

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cell_volume: 1115.158
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pub_title:
 Contribution a l'etude de quelques oxydes doubles que forme le tantale
 avec l'etain, l'uranium et le calcium.
 _cod_database_code 1001776

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formula: Ta2 Sn2 O7
compound: <missing>
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beta: 90
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pub_title:
 Contribution a l'etude de quelques oxydes doubles que forme le tantale
 avec l'etain, l'uranium et le calcium.
 _cod_database_code 1001840

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formula: Ga
compound: Synthetic
formula_title: <missing>
a: 2.90
b: 8.13
c: 3.17
alpha: 90
beta: 90
gamma: 90
cell_volume: 74.739
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pub_title:
 Structure atomique d'une phase cristalline du gallium, instable
 a la pression atmospherique
 Sample: at T = 256.85 K

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formula: Pb2 O2 Cl
compound: <missing>
pub_title: Sur la synthese d'un oxychlorure de plomb _cod_database_code 1001200
formula_title: Cl2 O4 Pb4
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b: 3.91
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formula: Nb Li3 O4
compound: <missing>
formula_title: Li3 Nb O4
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b: 8.429
c: 8.429
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.942
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pub_title:
 Etude cristallographique des orthoniobates et orthotantalates de lithium
 _cod_database_code 1007081

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formula: Co As2
compound: <missing>
pub_title: Structure cristalline de CoAs2
formula_title: <missing>
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formula: Co As2
compound: <missing>
pub_title: Structure cristalline de CoAs2 Note: coordinates transformed from B2_1/d to P2_1/c
formula_title: <missing>
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b: 5.860
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pub_title:
 Structure cristallographique de l'orthovanadate de lithium-cuivre, VLiCuO4
 _cod_database_code 1007051

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formula: Ba P2 O6
compound: <missing>
pub_title: Une nouvelle forme du metaphosphate de baryum Ba (P O3)2 _cod_database_code 1007050
formula_title: Ba O6 P2
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b: 13.44
c: 8.36
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formula: Zn Sn (O6 H6)
compound: Synthetic
formula_title: <missing>
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b: 7.80
c: 7.80
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par
 diffraction des rayons X et resonance magnetique nucleaire
 Note: schoenfliesite group

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formula: Ca Sn (O6 H6)
compound: Synthetic
formula_title: <missing>
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b: 8.15
c: 8.15
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.343
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pub_title:
 Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par
 diffraction des rayons X et resonance magnetique nucleaire
 Note: schoenfliesite group

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compound: <missing>
pub_title: Structure cristalline du bronze de tungstene: Ba O (Ta2 O5)2 _cod_database_code 1001160
formula_title: Ba5.5 O60 Ta21.8
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formula: Pb2 V2 O7
compound: Mounana, Gabon
pub_title: La structure cristalline de la chervetite
formula_title: <missing>
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formula: K2 Sr P4 O12
compound: <missing>
formula_title: SrK2(PO3)4
a: 7.445
b: 7.445
c: 10.17
alpha: 90
beta: 90
gamma: 90
cell_volume: 563.703
crystal_density: 2.838
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pub_title:
 Structure cristalline du tetrametaphosphate de strontium-potassium: SrK2(PO3)4
 _cod_database_code 1007061

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formula: Ca3 Mn S2 O17 H12
compound: Tachgagalt, Morocco
pub_title: La despujolsite, une nouvelle espece minerale
formula_title: <missing>
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formula: Ni N P3 O9
compound: <missing>
formula_title: H4 N Ni O9 P3
a: 10.13
b: 10.13
c: 7.098
alpha: 90
beta: 90
gamma: 120
cell_volume: 630.791
crystal_density: 2.445
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pub_title:
 Structure cristalline du metaphosphate de nickel-ammonium rhomboedrique
 Ni N H4 (P O3)3. Donnees cristallographique sur les
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formula: K3 Ca P2 O8
compound: <missing>
pub_title: Structure cristalline de Ca K3 H (P O4)2 _cod_database_code 1007057
formula_title: Ca H K3 O8 P2
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c: 7.432
alpha: 90
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formula: U V O5
compound: <missing>
pub_title: Structure cristalline de U V O5 _cod_database_code 1001150
formula_title: O5 U V
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b: 7.19
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formula: Fe S O7 H5
compound: <missing>
pub_title: Structure cristalline de la parabutlerite
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compound: <missing>
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compound: Mounana, Gabon
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formula: Ca5 As4 O20 H10
compound: Synthetic
pub_title: The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite)
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formula: Ti2 K P3 O12
compound: <missing>
formula_title: K O12 P3 Ti2
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b: 9.770
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beta: 90
gamma: 90
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pub_title:
 Structure cristalline du monophosphate lacunaire K Ti2 (P O4)3.
 Monophosphates lacunaires NbGe(PO4)3 et M(V)Ti(PO4)3 pour M(V) = Sb, Nb, Ta
 _cod_database_code 1007058

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formula_title: Cl Na O3
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pub_title:
 Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium
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formula: Cd P2 O10
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pub_title: Structure cristalline de Cd (H2 P O4)2 (H2 O)2 _cod_database_code 1007055
formula_title: Cd H8 O10 P2
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formula_title: Cd O6 P2
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gamma: 90
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pub_title:
 Affinement de la structure cristalline du polyphosphate de cadmium. Cd(PO3)2
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formula_title: Ba(NH4)P3O9(H2O)
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pub_title:
 Donnees cristallographiques sur Ba(NH4)P3O9(H2O) et BaTlP3O9(H2O).
 Structure cristalline de Ba(NH4)P3O9(H2O)
 _cod_database_code 1007034

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formula: Bi2 Cu O4
compound: <missing>
pub_title: Etude structurale de CuBi2O4 _cod_database_code 1004051
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compound: Synthetic
pub_title: Refinement of the structure of tohdite 5Al2O3*H2O
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formula: Cu5 As2 O12
compound: Reichenbach, Odenwald near Bensheim, Hessen, West Germany
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pub_title:
 Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals,
 mineralogical description and crystal structure

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formula: K B F4
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pub_title: Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates
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pub_title: Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates
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pub_title:
 Chalkogenides of the transition elements. VIII A X-ray and
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 Sample: examined with X-ray diffraction

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pub_title:
 Chalkogenides of the transition elements. VIII A X-ray and
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pub_title:
 Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II
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pub_title:
 Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II
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compound: Beaverlodge Region, Saskatchewan, Canada
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pub_title:
 X-ray, Raman, infrared, and nuclear magnetic resonance studies of the
 crystal structure of ammonium tetrachloroaluminate, N H4 Al Cl4
 _cod_database_code 1004065

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 An X-ray crystallographic, Raman, and infrared spectral study of
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pub_title:
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pub_title:
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pub_title:
 Neutron powder diffraction studies as a function of temperature of structure II
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pub_title: The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O
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 Investigation of the structure of ettringite by time-of-flight neutron powder
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pub_title:
 Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice
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pub_title:
 Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice
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 Sample: Beta phase

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formula: Pb2 O F Cl
compound: Synthetic
formula_title: Pb2OFCl
a: 5.7221
b: 5.7269
c: 12.5410
alpha: 90
beta: 90
gamma: 90
cell_volume: 410.967
crystal_density: 7.836
atoms_sites: ["Pb", "O", "F", "Cl"]
atoms_x: sHQNAAAAAACAhB4AsJcNAA==
atoms_y: QEIPAAAAAAAAAAAAQEIPAA==
atoms_z: OPEIAEBCDwBAQg8AgIQeAA==
atoms_occupancy: 0
atoms_u_iso: ABJ6AAi2AAB4SgEAQFoBAA==
atoms_aniso_label: ["Pb"]
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atoms_aniso_u22: OCFRAA==
atoms_aniso_u33: aN1LAA==
atoms_aniso_u12: 0IsDAA==
atoms_aniso_u13: IMQHAA==
atoms_aniso_u23: 2MUHAA==
pub_title:
 A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I)
 Sample: Pb2OFCl(L), isostructural with blixite

qdat:
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formula: Pb2 O F Cl
compound: Synthetic
formula_title: Pb2OFCl
a: 5.7293
b: 5.7293
c: 12.5602
alpha: 90
beta: 90
gamma: 90
cell_volume: 412.287
crystal_density: 7.811
atoms_sites: ["Pb", "O", "F", "Cl"]
atoms_x: 0JoNAAAAAACAhB4AIMgNAA==
atoms_y: QEIPAAAAAAAAAAAAQEIPAA==
atoms_z: uO4IAEBCDwBAQg8AgIQeAA==
atoms_occupancy: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I)
 Sample: Pb2OFCl(H), part A of the twin, isostructural with blixite

qdat:
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formula: Pb2 O F Cl
compound: Synthetic
formula_title: Pb2OFCl
a: 5.7293
b: 5.7293
c: 12.5602
alpha: 90
beta: 90
gamma: 90
cell_volume: 412.287
crystal_density: 7.811
atoms_sites: ["Pb", "O", "F", "Cl"]
atoms_x: IGQNAAAAAACAhB4A0GgNAA==
atoms_y: QEIPAAAAAAAAAAAAQEIPAA==
atoms_z: MO8IAEBCDwBAQg8AgIQeAA==
atoms_occupancy: 0
atoms_u_iso: GLoAAAgVAQDwdwEA+MUAAA==
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I)
 Sample: Pb2OFCl(H), part B of the twin, isostructural with blixite

qdat:
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formula: Kr
compound: Synthetic
pub_title: Hexagonal close packed krypton and xenon Sample: at T = 26 K
formula_title: <missing>
a: 4.00
b: 4.00
c: 6.53
alpha: 90
beta: 90
gamma: 120
cell_volume: 90.482
crystal_density: 3.076
atoms_sites: ["Kr"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Xe
compound: Synthetic
pub_title: Hexagonal close packed krypton and xenon Sample: at T = 26 K
formula_title: <missing>
a: 4.34
b: 4.34
c: 7.09
alpha: 90
beta: 90
gamma: 120
cell_volume: 115.653
crystal_density: 3.770
atoms_sites: ["Xe"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Bi O1.5
compound: <missing>
formula_title: Bi2O3
a: 5.6549
b: 5.6549
c: 5.6549
alpha: 90
beta: 90
gamma: 90
cell_volume: 180.832
crystal_density: 8.558
atoms_sites: ["Bi", "O1", "O2"]
atoms_x: AAAAAEBCDwBgchQA
atoms_y: AAAAAEBCDwBgchQA
atoms_z: AAAAAEBCDwBgchQA
atoms_occupancy: AAk9AMAJDgBA7wcA
atoms_u_iso: wMIEAADiBACgYgcA
atoms_aniso_label: ["O2"]
atoms_aniso_u11: AFMHAA==
atoms_aniso_u22: AFMHAA==
atoms_aniso_u33: AFMHAA==
atoms_aniso_u12: YG0AAA==
atoms_aniso_u13: YG0AAA==
atoms_aniso_u23: YG0AAA==
pub_title:
 Crystal structure and disorder of the fast oxide-ion conductor cubic Bi2O3
 Note: sample at T = 778 deg C
 Note: this is called gamma-Bi2O3

qdat:
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formula: S8 O
compound: <missing>
pub_title: Rontgenstrukturanalyse von cyclooctaschwefeloxid
formula_title: S8O
a: 13.197
b: 7.973
c: 8.096
alpha: 90
beta: 90
gamma: 90
cell_volume: 851.858
crystal_density: 2.125
atoms_sites: ["S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "O1"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "O1"]
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atoms_aniso_u23: 4C4AAMDaAACAwf//oA8AACDR//8Ag///QKL//yDR///gsf//
qdat:
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formula: Ba6 Ni25 S27
compound: <missing>
pub_title: Structure and properties of Ba6 Ni25 S27 _cod_database_code 1005034
formula_title: Ba6 Ni25 S27
a: 10.0565
b: 10.0565
c: 10.0565
alpha: 90
beta: 90
gamma: 90
cell_volume: 1017.046
crystal_density: 5.154
atoms_sites: ["Ba1", "Ni1", "Ni2", "S1", "S2", "S3", "S4"]
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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: Ga5 P4 O22 H43 F6 N4 C12
compound: <missing>
formula_title: C12 H43 F6 Ga5 N4 O22 P4
a: 8.735
b: 8.864
c: 12.636
alpha: 98.36
beta: 100.18
gamma: 115.84
cell_volume: 838.918
crystal_density: 2.340
pub_title:
 Hydrothermal synthesis and characterization of the new layered
 fluorogallophosphate Mu-23
 _cod_database_code 1004032

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u23:
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qdat:
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formula: Ca Sb10 O10 S6
compound: Sarabau mine, Sarawak, Malaysia
pub_title: The crystal structure of sarabauite CaSb10O10S6, a new oxide sulfide mineral
formula_title: <missing>
a: 25.330
b: 5.655
c: 16.880
alpha: 90
beta: 117.51
gamma: 90
cell_volume: 2144.518
crystal_density: 4.987
atoms_sites: ["Ca", "Sb1", "Sb2", "Sb3", "Sb4", "Sb5", "O1", "O2", "O3", "O4", "O5", "S1", "S2", "S3"]
atoms_x: AAAAANCRGwBQsQMAsIcYAMAICgCw4g0AUHIBAGAdBQDAtRsAUL0aABDpAQDAChIAMIQKAMDMEwA=
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atoms_occupancy: 0
atoms_u_iso: gI4AAEioAAD4uwAAWJgAAPDDAADYJgEAaFABABiwAACY3wAA2NEAADCsAABw8wAASP0AAHhnAgA=
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atoms_aniso_u22: 0
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qdat:
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formula: Na2 (Sb7.2 As.8) S13 (O2 H4)
compound: Baker mine, Kern County, Boron, California, USA
pub_title: The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium
formula_title: <missing>
a: 9.911
b: 23.05
c: 7.097
alpha: 90
beta: 127.85
gamma: 90
cell_volume: 1280.210
crystal_density: 3.724
atoms_x: 8KAAAAAyGQAAMhkAMD4FADA+BQDgkx0A4JMdAPAeHgDwHh4AAAAAABCSHABQ/w8AsMEGAKCjEQDQywkAAD0TAMDfFABgtAkA
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atoms_z: AF4BAFBrMABQazAAoLkeAKC5HgCwdh8AsHYfAND9OwDQ/TsAAAAAAPB8HwBQtxsAAAggADCvOQBwSzoAUCMjAEAuPAAg4DsA
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
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qdat:
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formula: Bi4 Sr7.86 Cu5 O19.06
compound: <missing>
formula_title: Bi4 Cu5 O19.06 Sr7.86
a: 5.3671
b: 33.9719
c: 24.0722
alpha: 90
beta: 90
gamma: 90
cell_volume: 4389.098
crystal_density: 6.499
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:
 Electron microscopy, neutron diffraction and physical properties
 of Bi4Sr8Cu5O19+y
 _cod_database_code 1006049

atoms_sites:
["Bi1", "Bi2", "Sr1", "Sr2", "Sr3", "Sr4", "Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Mo.5 Li.5) N
compound: <missing>
pub_title: LiMoN2: the first metallic layered nitride _cod_database_code 1005011
formula_title: Li Mo N2
a: 2.8674
b: 2.8674
c: 15.801
alpha: 90
beta: 90
gamma: 120
cell_volume: 112.510
crystal_density: 5.796
atoms_sites: ["Mo1", "Li1", "Mo2", "Li2", "N1", "N2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_z: AAAAAAAAAAAgmTIAIJkyAIBhDwBQRhkA
atoms_occupancy: QOEzAMAnCQDAJwkAQOEzAAAJPQAACT0A
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: Cu Cr P2 S6
compound: <missing>
formula_title: Cr Cu P2 S6
a: 5.935
b: 10.282
c: 13.368
alpha: 90
beta: 106.78
gamma: 90
cell_volume: 781.029
crystal_density: 3.146
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:
 Low-temperature neutron powder diffraction study of CuCrP2S6:
 observation of an ordered, antipolar copper sublattice
 _cod_database_code 1000355

atoms_sites:
["Cu1", "Cu2", "Cr1", "Cr2", "P1", "P2", "P3", "P4", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12"]

atoms_x:
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atoms_y:
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atoms_z:
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qdat:
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formula: Hg Tl2 Cu2 (Ba3 Sr) O10
compound: <missing>
formula_title: Ba3 Cu2 Hg O10 Sr Tl2
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b: 3.8289
c: 41.75699
alpha: 90
beta: 90
gamma: 90
cell_volume: 612.177
crystal_density: 7.574
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pub_title:
 Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
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formula: La Ba Cu Ti O5.5
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formula_title: Ba2 Cu2 La2 O11 Ti2
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pub_title:
 Crystal structure refinement of the layered copper-titanium perovskites
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 _cod_database_code 1006074

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formula: Nd2 Ba2 Cu2 Ti2 O11
compound: <missing>
formula_title: Ba2 Cu2 Nd2 O11 Ti2
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c: 15.7614
alpha: 90
beta: 90
gamma: 90
cell_volume: 241.301
crystal_density: 6.620
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pub_title:
 Crystal structure refinement of the layered copper-titanium perovskites
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 _cod_database_code 1006075

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pub_title: Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d _cod_database_code 1001666
formula_title: Ca0.81 Cu2 O7 Sr2 Tl1.19
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formula: Tl1.19 Ca.81 Sr2 Cu2 O7
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pub_title: Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d _cod_database_code 1001667
formula_title: Ca0.81 Cu2 O7 Sr2 Tl1.19
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formula: K1.998 Cs7.002 Mo9 P11 Al3 O59
compound: <missing>
formula_title: Al3 Cs7 K2 Mo9 O59 P11
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b: 16.952
c: 11.833
alpha: 90
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pub_title:
 Significant structural disorganization in alkaline molybdenum(V)
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formula: (La2.2 Sr1.8) Cu3 Fe O10
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formula_title: Cu6 Fe2 La4.4 O20 Sr3.6
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c: 3.8976
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pub_title:
 Powder neutron diffraction study of the ordered oxygen-deficient
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formula_title: Cu6.8 Fe1.2 La5.2 O20 Sr2.8
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pub_title:
 Powder neutron diffraction study of the ordered oxygen-deficient
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pub_title:
 Powder neutron diffraction study of the ordered oxygen-deficient
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formula: Tl3 Cr Cu4 Sr8 O20
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formula_title: Tl3(CrO4)Sr8Cu4O16
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pub_title:
 The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long-
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pub_title: Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 _cod_database_code 1001719
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