# cif

formula: Co
compound: Synthetic
formula_title: <missing>
a: 2.519
b: 2.519
c: 4.091
alpha: 90
beta: 90
gamma: 120
cell_volume: 22.481
crystal_density: 8.706
atoms_sites: ["Co"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at room T
 Note: cell edge a is average of photographs 1 & 2

qdat:
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formula: Co
compound: Synthetic
formula_title: <missing>
a: 2.527
b: 2.527
c: 4.119
alpha: 90
beta: 90
gamma: 120
cell_volume: 22.779
crystal_density: 8.592
atoms_sites: ["Co"]
atoms_x: VVgUAA==
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pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 295 C
 Note: photograph 3

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAABAAAQAAAAAAAAAAAAAABAAAAAAAAAAAABAAAAAAAgAAAACAIAgACAAAAAAIAAAIAAAAAAAAAIAAACAAQAQAAABEAAEAAAEAAABAAAAKAAAAAARAAIAAB==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 2.536
b: 2.536
c: 4.136
alpha: 90
beta: 90
gamma: 120
cell_volume: 23.036
crystal_density: 8.496
atoms_sites: ["Co"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 420 C
 Note: photograph 4

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAACAAAgAAAAAAAAAAAAAAEAAAAAAAAAAAACAAAAAACAAAAAIBACAAIAAAAAAgAABAAAAAAAAAAgAAAQACACAAAAIgAAgAAAQAAAIAAACgAAAAAEQACAAAQ==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.559
b: 3.559
c: 3.559
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.080
crystal_density: 8.683
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at room T
 Note: cell parameter is average of photographs 5-8

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAACAAAAAAAAAAIAAEAAAAAAAAAAAAQAAAAAAABAAAAAAAAAAAAA==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.573
b: 3.573
c: 3.573
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.614
crystal_density: 8.582
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 295 C
 Note: photograph 9

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAACAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAIAAAAAAAAACAAAgAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAAAB==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.579
b: 3.579
c: 3.579
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.844
crystal_density: 8.539
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u11: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 420 C
 Note: photograph 10

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAAAgAAAAAAAAAEAABAAAAAAAAAAAAIAAAAAAAAgAAAAAAAAAAAAE==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.589
b: 3.589
c: 3.589
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.230
crystal_density: 8.467
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 625 C
 Note: photograph 11

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAACAAAAQAAAAAAAAAAAAAACAAAAAAAAAAQAAEAAAAAAAAAAAAgAAAAAAAEAAAAAAAAAAAAAQ==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.602
b: 3.602
c: 3.602
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.734
crystal_density: 8.376
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 843 C
 Note: photograph 12

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAEAAACAAAAAAAAAAAAAAAIAAAAAAAAACAAAgAAAAAAAAAAAEAAAAAAAAgAAAAAAAAAAAAEA==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.617
b: 3.617
c: 3.617
alpha: 90
beta: 90
gamma: 90
cell_volume: 47.320
crystal_density: 8.272
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 1099 C
 Note: photograph 13

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAABAAAAAAAAAAQAAEAAAAAAAAAAABAAAAAAAAIAAAAAAAAAAAABAA==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.628
b: 3.628
c: 3.628
alpha: 90
beta: 90
gamma: 90
cell_volume: 47.753
crystal_density: 8.197
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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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:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 1121 C
 Note: photograph 14

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAACAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAAEAAAAAAAAABAAAQAAAAAAAAAAAIAAAAAAAAgAAAAAAAAAAAAIAA==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.644
b: 3.644
c: 3.644
alpha: 90
beta: 90
gamma: 90
cell_volume: 48.388
crystal_density: 8.090
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 1148 C
 Note: photograph 15

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAIAAAEAAAAAAAAAAAAAAAgAAAAAAAAAIAAEAAAAAAAAAAABAAAAAAAAIAAAAAAAAAAAAEAAA==


formula: Co
compound: Synthetic
formula_title: <missing>
a: 3.647
b: 3.647
c: 3.647
alpha: 90
beta: 90
gamma: 90
cell_volume: 48.507
crystal_density: 8.070
atoms_sites: ["Co"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Variation of resistance and structure of cobalt with temperature
 and a discussion of its photoelectric emission
 Sample: at T = 1187 C
 Note: photograph 16

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAABAAAAAAAAAAQAAIAAAAAAAAAAACAAAAAAAAQAAAAAAAAAAAAIAAA==


formula: Li
compound: Synthetic
formula_title: <missing>
a: 4.41
b: 4.41
c: 4.41
alpha: 90
beta: 90
gamma: 90
cell_volume: 85.766
crystal_density: 0.538
atoms_sites: ["Li"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 A low temperature transformation in lithium
 Sample: at T = -196 C
 Note: transformation induced by metal being plastically deformed

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAEAAAAAAAAAAAAAAAAAAAQAAAAAAAAAABAAAQAAAAAAAAAAAAgAAAAAAAEAAQAAAAAAAAAIAAAAAAIAAAAAAAAAAIAAAAAEAEAAAAAAAQAAAACAEAAAAAAEA==


formula: Li
compound: Synthetic
pub_title: A low temperature transformation in lithium Sample: at T = -196 C
formula_title: <missing>
a: 3.50
b: 3.50
c: 3.50
alpha: 90
beta: 90
gamma: 90
cell_volume: 42.875
crystal_density: 0.538
atoms_sites: ["Li"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAABAAAAAAAAAAAAAIAAAAAAAAAACAAAAAAAAACAAAAAAAACAAAAAAAAgAAAAAACAAAAAAAgAAAAABAAAAAAIAAAAACAAAAACAAAAAAAAAAAgA==


formula: K P O4 H2
compound: <missing>
formula_title: <missing>
a: 10.53
b: 10.44
c: 6.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 758.539
crystal_density: 2.383
atoms_sites: ["K", "P", "O1", "O2", "H"]
atoms_x: AAAAAAAAAACAFAcA8OT9/4B5CwA=
atoms_y: AAAAAAAAAAAQGwIAgBQHABC2/f8=
atoms_z: AEAfAAAAAADg/gcAUHb4//AlCAA=
atoms_occupancy: 0
atoms_u_iso: OE8AAMB2AADAdgAAwHYAAMiLAQA=
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:
 Neutron diffraction study of the ferroelectric modification of potassium
 dihydrogen phosphate
 Note sample at T = 113 K
 Note: low temperature polymorph of archerite

qdat:
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formula: Ge
compound: Synthetic
formula_title: <missing>
a: 5.65745
b: 5.65745
c: 5.65745
alpha: 90
beta: 90
gamma: 90
cell_volume: 181.077
crystal_density: 5.327
atoms_sites: ["Ge"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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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:
 Precision determination of lattice constants with a Geiger-counter
 X-ray diffractometer
 Sample: at T = 25 C

qdat:
AAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAgAAAAgAAAIAAAIAAAAAAIAAEAAEAAIAAQACAAIAAAAgAIAEACACABABAAACAEAIAQAACAIAACAIAgEAgEAQAAgEAgIBAQEAAIEBAQEBAgAECAgQAECAAgQIECBBAAgQQIIIIAE==


formula: He
compound: Synthetic
pub_title: Structure of solid helium by neutron diffraction Sample: at T = 1.1 K and P = .007 GPa
formula_title: <missing>
a: 3.53
b: 3.53
c: 5.76
alpha: 90
beta: 90
gamma: 120
cell_volume: 62.159
crystal_density: 0.214
atoms_sites: ["He"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAIABAAAAAAAAAAAgAAAAAAAAIAAAAEAAAECBACAAAAEAAIAAAAAAEAACAEBAAASAAgACAABAAAwAAABIAQACAAAAERBAAJAABAAAgAgIQABAIEEAEANIAAKAgQgAgBwAAFA==


formula: He
compound: Synthetic
formula_title: <missing>
a: 4.01
b: 4.01
c: 4.01
alpha: 90
beta: 90
gamma: 90
cell_volume: 64.481
crystal_density: 0.206
atoms_sites: ["He"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 Structure of the alpha and beta forms of solid He
 Sample: at T = 1.9 K & P = .01 GPa
 Note: structure known as the alpha form

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAQAAAAAAAAAAAgAAAAAAAABAAAAAAAAEAAAAAAAEAAAAAACAAAAAAEAAAAABAAAAABAAAAAEAAAAAgAAAAQAAAAAAAAAQAAABAAAAQAAACAAAAgAAAQ==


formula: He
compound: Synthetic
formula_title: <missing>
a: 3.46
b: 3.46
c: 5.60
alpha: 90
beta: 90
gamma: 120
cell_volume: 58.059
crystal_density: 0.229
atoms_sites: ["He"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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:
 Structure of the alpha and beta forms of solid He
 Sample: at T = 3.3 K & P = .018 GPa
 Note: structure known as the beta form

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAIACAAAAAAAAAAAQAAAAAAAAEAAAAAgAAAgQIABAAAAIAAEAAAAAACAAEAIAQAADAAIABAAAQAAIQAAACEAgAQAAAAiMBAAEQAAEABABAgIACEEAECCAIGAABACAYIIAEQ==


formula: Ar
compound: Synthetic
formula_title: <missing>
a: 5.25
b: 5.25
c: 5.25
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.703
crystal_density: 1.834
atoms_sites: ["Ar"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 Atomic distribution in liquid and solid neon and solid argon by neutron diffraction
 Sample: at T = 4.2 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAABAAAAAAAAAAAAAAAAIAAAAAAAAAQAAgAAAAAAAAABAAAAAABAAQAAAAAAACAAAAACAAAAAAAABAAAAAgCAAAAAAQAAABAIAAAAAQAAAEBAAAAAQAAAIAAAAACAAAIEA==


formula: Ne
compound: Synthetic
formula_title: <missing>
a: 4.462
b: 4.462
c: 4.462
alpha: 90
beta: 90
gamma: 90
cell_volume: 88.836
crystal_density: 1.509
atoms_sites: ["Ne"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 Measurement of the lattice constants of neon isotopes in the temperature range 4-24 K
 Sample: at T = 4.2 K
 Note: this is isotope 20 Ne

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAgAAAAAAAAAAAAAAAAAAIAAAAAAAAAABAAAIAAAAAAAAAAABAAAAAAAAIAAgAAAAAAAAAgAAAAAAgAAAAAAAAACAAAAABABAAAAAAAEAAAABACAAAAAACAAA==


formula: Ne
compound: Synthetic
formula_title: <missing>
a: 4.454
b: 4.454
c: 4.454
alpha: 90
beta: 90
gamma: 90
cell_volume: 88.359
crystal_density: 1.517
atoms_sites: ["Ne"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 Measurement of the lattice constants of neon isotopes in the temperature range 4-24 K
 Sample: at T = 4.2 K
 Note: this is isotope 22 Ne

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAgAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAgAAEAAAAAAAAAAAAgAAAAAAAEAAQAAAAAAAAAQAAAAAAQAAAAAAAAAAgAAAAAgAgAAAAAACAAAAAQAgAAAAABAAA==


formula: Ni S
compound: <missing>
pub_title: X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 77 K
formula_title: NiS
a: 3.4456
b: 3.4456
c: 5.405
alpha: 90
beta: 90
gamma: 120
cell_volume: 55.572
crystal_density: 5.424
atoms_sites: ["Ni", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAODIEAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ni", "S"]
atoms_aniso_u11: KDYBADiW//8=
atoms_aniso_u22: KDYBADiW//8=
atoms_aniso_u33: 4MwCAICj//8=
atoms_aniso_u12: AJsAADDL//8=
atoms_aniso_u13: AAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAACAgAAAAAAAAAAAIAAAAAAABAAAAAABAAQAhAAAAEAAQAAAAQAAAAAQBABAAAEACAAgEIAAAEAAQAAAIAACAkAAAAECgACQIAQBAAAQYCAAQEAAFAAAigQgBBAoJAACII==


formula: Ni S
compound: <missing>
pub_title: X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 300 K
formula_title: NiS
a: 3.4395
b: 3.4395
c: 5.3514
alpha: 90
beta: 90
gamma: 120
cell_volume: 54.826
crystal_density: 5.498
atoms_sites: ["Ni", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ni", "S"]
atoms_aniso_u11: OHsBAODj//8=
atoms_aniso_u22: OHsBAODj//8=
atoms_aniso_u33: aF0DAGCl//8=
atoms_aniso_u12: sL0AAPDx//8=
atoms_aniso_u13: AAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAQAAAAAAAAAAACAAAAAAABAAAAAAAEAIAAgAAAAIAEAAAABAAAAACAgAgAAAQBAAAgUAAAAgAAAAAAAAAEFCAAABAIAAICAAgBAACCIgABAgAAiAAIIkAEAQAYgAAgC==


formula: O.25
compound: Synthetic
formula_title: <missing>
a: 6.78
b: 6.78
c: 6.78
alpha: 90
beta: 90
gamma: 90
cell_volume: 311.666
crystal_density: 1.364
atoms_sites: ["O1", "O2"]
atoms_x: QKkCAEATAgA=
atoms_y: QKkCAEBbDwA=
atoms_z: QKkCAPBVGQA=
atoms_occupancy: QEIPAEBCDwA=
atoms_u_iso: 0
atoms_aniso_label: ["O1", "O2"]
atoms_aniso_u11: cAAIAKCTAwA=
atoms_aniso_u22: cAAIAPB8BgA=
atoms_aniso_u33: cAAIAOCmBQA=
atoms_aniso_u12: wOb+/6DE//8=
atoms_aniso_u13: wOb+/5CE//8=
atoms_aniso_u23: wOb+/yAJ//8=
pub_title:
 Neutron-Diffraction determination of the crystal structure and magnetic form
 factor of gamma-oxygen
 Sample: at T = 46 K
 Note: gamma phase, stable between 44 K & 55 K

qdat:
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formula: Se
compound: Synthetic
formula_title: <missing>
a: 4.368
b: 4.368
c: 4.958
alpha: 90
beta: 90
gamma: 120
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crystal_density: 4.801
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Note: known as alpha phase with trigonal structure

qdat:
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formula: Se
compound: Synthetic
formula_title: <missing>
a: 4.052
b: 4.052
c: 5.038
alpha: 90
beta: 90
gamma: 120
cell_volume: 71.635
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 2.58 GPa
 Note: known as alpha phase with trigonal structure

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formula: Se
compound: Synthetic
formula_title: <missing>
a: 3.956
b: 3.956
c: 5.069
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 4.15 GPa
 Note: known as alpha phase with trigonal structure

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formula: Se
compound: Synthetic
formula_title: <missing>
a: 3.910
b: 3.910
c: 5.080
alpha: 90
beta: 90
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 4.99 GPa
 Note: known as alpha phase with trigonal structure

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formula: Se
compound: Synthetic
formula_title: <missing>
a: 3.846
b: 3.846
c: 5.095
alpha: 90
beta: 90
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 6.57 GPa
 Note: known as alpha phase with trigonal structure

qdat:
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formula: Se
compound: Synthetic
formula_title: <missing>
a: 3.810
b: 3.810
c: 5.110
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 7.70 GPa
 Note: known as alpha phase with trigonal structure

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formula: Se
compound: Synthetic
formula_title: <missing>
a: 3.779
b: 3.779
c: 5.109
alpha: 90
beta: 90
gamma: 120
cell_volume: 63.186
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pub_title:
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 8.64 GPa
 Note: known as alpha phase with trigonal structure

qdat:
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formula: Sc
compound: Synthetic
pub_title: High-pressure phase transformation in scandium Sample: at P = 33.5 GPa
formula_title: <missing>
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b: 4.73
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formula: Zn S
compound: <missing>
pub_title: Zinc-blende-wurtzite polytypism in semiconductors
formula_title: <missing>
a: 3.777
b: 3.777
c: 6.188
alpha: 90
beta: 90
gamma: 120
cell_volume: 76.450
crystal_density: 4.234
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qdat:
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formula: Si
compound: Synthetic
formula_title: <missing>
a: 4.737
b: 4.502
c: 2.550
alpha: 90
beta: 90
gamma: 90
cell_volume: 54.381
crystal_density: 3.430
atoms_sites: ["Si"]
atoms_x: AAAAAA==
atoms_y: QEIPAA==
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 New high-pressure phase of Si
 Sample: structure exists between 13 GPa to 18 GPa
 Note: intermediate structure between those of Si II and Si V

qdat:
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formula: Al N
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: AlN
a: 3.110
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c: 4.980
alpha: 90
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cell_volume: 41.714
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formula: Ga N
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: GaN
a: 3.190
b: 3.190
c: 5.189
alpha: 90
beta: 90
gamma: 120
cell_volume: 45.729
crystal_density: 6.081
atoms_sites: ["Ga", "N"]
atoms_x: q7AoAKuwKAA=
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formula: Be O
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: <missing>
a: 2.698
b: 2.698
c: 4.380
alpha: 90
beta: 90
gamma: 120
cell_volume: 27.611
crystal_density: 3.008
atoms_sites: ["Be", "O"]
atoms_x: q7AoAKuwKAA=
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qdat:
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formula: B N
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: BN
a: 2.536
b: 2.536
c: 4.199
alpha: 90
beta: 90
gamma: 120
cell_volume: 23.387
crystal_density: 3.524
atoms_sites: ["B", "N"]
atoms_x: q7AoAKuwKAA=
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qdat:
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formula: Si C
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: <missing>
a: 3.076
b: 3.076
c: 5.048
alpha: 90
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gamma: 120
cell_volume: 41.364
crystal_density: 3.219
atoms_sites: ["Si", "C"]
atoms_x: q7AoAKuwKAA=
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qdat:
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formula: Zn O
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: <missing>
a: 3.249
b: 3.249
c: 5.207
alpha: 90
beta: 90
gamma: 120
cell_volume: 47.601
crystal_density: 5.678
atoms_sites: ["Zn", "O"]
atoms_x: q7AoAKuwKAA=
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qdat:
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formula: Cd S
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: <missing>
a: 4.137
b: 4.137
c: 6.7144
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.520
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qdat:
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formula: Cd Se
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals
formula_title: <missing>
a: 4.2985
b: 4.2985
c: 7.0152
alpha: 90
beta: 90
gamma: 120
cell_volume: 112.255
crystal_density: 5.662
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qdat:
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formula: Zn S
compound: <missing>
pub_title: Electronic, optical, and structural properties of some wurtzite crystals Note: 2H polytype
formula_title: <missing>
a: 3.811
b: 3.811
c: 6.234
alpha: 90
beta: 90
gamma: 120
cell_volume: 78.411
crystal_density: 4.128
atoms_sites: ["Zn", "S"]
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qdat:
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formula: Cu I
compound: <missing>
formula_title: <missing>
a: 6.0545
b: 6.0545
c: 6.0545
alpha: 90
beta: 90
gamma: 90
cell_volume: 221.940
crystal_density: 5.700
atoms_sites: ["Cu", "I"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
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atoms_u_iso: 8DUCAFBeAQA=
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 0 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuI-III

qdat:
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formula: Cu I
compound: <missing>
formula_title: <missing>
a: 4.155
b: 4.155
c: 20.48
alpha: 90
beta: 90
gamma: 120
cell_volume: 306.198
crystal_density: 6.197
atoms_sites: ["Cu", "I1", "I2"]
atoms_x: AAAAAAAAAAAAAAAA
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 1.74 GPa
 Note: known as CuI-IV

qdat:
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formula: Cu I
compound: <missing>
formula_title: <missing>
a: 4.0826
b: 4.0826
c: 20.077
alpha: 90
beta: 90
gamma: 120
cell_volume: 289.803
crystal_density: 6.548
atoms_sites: ["Cu", "I1", "I2"]
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 3.60 GPa
 Note: known as CuI-IV

qdat:
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formula: Cu I
compound: <missing>
formula_title: <missing>
a: 4.0229
b: 4.0229
c: 5.6506
alpha: 90
beta: 90
gamma: 90
cell_volume: 91.448
crystal_density: 6.917
atoms_sites: ["Cu", "I"]
atoms_x: AAAAAAAAAAA=
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.55 GPa
 Note: known as CuI-V

qdat:
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formula: Cu I
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formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 8.39 GPa
 Note: known as CuI-V

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formula: Cu Cl
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 0 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuCl-II

qdat:
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formula: Cu Cl
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formula_title: <missing>
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beta: 90
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.52 GPa
 Note: known as CuCl-IV

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formula: Cu Cl
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 9.24 GPa
 Note: known as CuCl-IV

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formula: Cu Cl
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 10.49 GPa
 Note: rocksalt structure
 Note: known as CuCl-V

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formula: Cu Br
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formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 0 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuBr-III

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formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 4.85 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuBr-III

qdat:
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formula: Cu Br
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formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 4.85 GPa
 Note: known as CuBr-IV

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formula: Cu Br
compound: <missing>
formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.08 GPa
 Note: known as CuBr-IV

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formula: Cu Br
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formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.08 GPa
 Note: known as CuBr-V

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formula: Cu Br
compound: <missing>
formula_title: CuBr
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alpha: 90
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 7.29 GPa
 Note: known as CuBr-V

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formula: Cu Br
compound: <missing>
formula_title: CuBr
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pub_title:
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 9.28 GPa
 Note: rocksalt structure
 Note: known as CuBr-VI

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formula: (Zn.71 Mn.29) Se
compound: <missing>
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pub_title:
 High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering
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 Note: wurtzite structure
 Note: synthetic

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formula: Ag Cl
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pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 0.0 GPa, Phase I
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formula: Ag Cl
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pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 2.5 GPa, Phase I
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formula: Ag Cl
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 3.9 GPa, Phase I
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formula: Ag Cl
compound: Synthetic
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 5.2 GPa, Phase I
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formula: Ag Cl
compound: Synthetic
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 6.2 GPa, Phase I
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formula: Ag Cl
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formula: Ag Cl
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 6.6 GPa, Phase II
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formula: Ag Cl
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 7.6 GPa, Phase II
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formula: Ag Cl
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 7.9 GPa, Phase II
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formula: Ag Cl
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 8.6 GPa, Phase II
formula_title: AgCl
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pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 11.3 GPa, Phase V
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formula: Ag I
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pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 11.7 GPa, Phase V
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formula: Ag I
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.3 GPa, Phase V
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formula: Ag I
compound: <missing>
pub_title: Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.5 GPa, Phase V
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pub_title:
 Crystal structure of bent carbon dioxide phase IV
 Sample: P = 15 GPa, the authors do not think this is the correct structure

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pub_title:
 Crystal structure of bent carbon dioxide phase IV
 Sample: P = 15 GPa, the authors think this structure is correct

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 Joint X-ray and neutron refinement of the structure of superconducting
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 _cod_database_code 1000030

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compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 10 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 20 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 27.1 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 31 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 35.6 GPa

qdat:
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formula: Ne
compound: Synthetic
formula_title: <missing>
a: 3.190
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alpha: 90
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 40.3 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 51.5 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 56.9 GPa

qdat:
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formula: Ne
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 64.4 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 74.3 GPa

qdat:
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formula: Ne
compound: Synthetic
formula_title: <missing>
a: 3.021
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alpha: 90
beta: 90
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 78.3 GPa

qdat:
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formula: Ne
compound: Synthetic
formula_title: <missing>
a: 3.014
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alpha: 90
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 82.3 GPa

qdat:
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formula: Ne
compound: Synthetic
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 83.5 GPa

qdat:
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formula: Ne
compound: Synthetic
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alpha: 90
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 87.5 GPa

qdat:
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formula: Ne
compound: Synthetic
formula_title: <missing>
a: 2.986
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alpha: 90
beta: 90
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 91.1 GPa

qdat:
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formula: Ne
compound: Synthetic
formula_title: <missing>
a: 2.973
b: 2.973
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alpha: 90
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cell_volume: 26.278
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 94.5 GPa

qdat:
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formula: Ne
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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 97.7 GPa

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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 101.0 GPa

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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 103.7 GPa

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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 107.7 GPa

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pub_title:
 X-ray diffraction and equation of state of solid neon to 110 GPa
 Sample: at T = 300 K and P = 110.4 GPa

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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
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 _cod_database_code 1000307

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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
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 _cod_database_code 1000308

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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
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 _cod_database_code 1000310

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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
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 _cod_database_code 1000315

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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
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 _cod_database_code 1000316

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formula: Nd Ni O3
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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
 transition
 _cod_database_code 1000317

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formula: Nd Ni O3
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formula_title: Nd Ni O3
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pub_title:
 Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm):
 Electronically induced structural changes across the metal-insulator
 transition
 _cod_database_code 1000318

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formula: Sr
compound: Synthetic
pub_title: Structural study on the high-pressure phase strontium III Sample: at P = 31.3 GPa
formula_title: <missing>
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formula: Na V3 D6 S2 O14
compound: <missing>
formula_title: NaV3(SO4)2(OD)6
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alpha: 90
beta: 90
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cell_volume: 767.912
crystal_density: 3.088
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pub_title:
 Powder neutron diffraction analysis and magnetic structure of kagome-type
 vanadium jarosite NaV3(OD)6(SO4)2
 Sample: T = 16 K

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compound: <missing>
formula_title: NaV3(SO4)2(OD)6
a: 7.27789
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beta: 90
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pub_title:
 Powder neutron diffraction analysis and magnetic structure of kagome-type
 vanadium jarosite NaV3(OD)6(SO4)2
 Sample: T = 217 K

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formula: He
compound: Synthetic
pub_title: New allotropic form of He3 Sample: at T = 18.76 K & P = .171 GPa
formula_title: <missing>
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c: 4.242
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formula: He
compound: Synthetic
pub_title: New allotropic form of He3 Sample: at T = 15.98 K & P = .136 GPa
formula_title: <missing>
a: 3.046
b: 3.046
c: 4.986
alpha: 90
beta: 90
gamma: 120
cell_volume: 40.063
crystal_density: 0.332
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formula: He
compound: Synthetic
formula_title: <missing>
a: 4.11
b: 4.11
c: 4.11
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.427
crystal_density: 0.191
atoms_sites: ["He"]
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pub_title:
 Structure of the gamma form of solid He4
 Sample: at T = 1.73 K & P = .003 GPa
 Note: structure known as gamma phase

qdat:
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formula: He
compound: Synthetic
pub_title: Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa
formula_title: <missing>
a: 3.650
b: 3.650
c: 5.945
alpha: 90
beta: 90
gamma: 120
cell_volume: 68.591
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atoms_x: VVgUAA==
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formula: Si
compound: Synthetic
formula_title: <missing>
a: 3.34
b: 3.34
c: 3.34
alpha: 90
beta: 90
gamma: 90
cell_volume: 37.260
crystal_density: 5.007
atoms_sites: ["Si"]
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pub_title:
 hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa
 Sample: at P = 87 GPa
 Note: fcc structure stable above 78 GPa

qdat:
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formula: Cs
compound: Synthetic
formula_title: <missing>
a: 3.011
b: 3.011
c: 4.855
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.016
crystal_density: 10.028
atoms_sites: ["Cs"]
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pub_title:
 Cs(VI): a new high-pressure polymorph of cesium above 72 GPa
 Sample: at P = 92 GPa
 Note: stable above P = 72 GPa
 Note: known as cesium-VI

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formula: S
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 Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4-
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 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
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 Sample: P = .28 GPa, T = 30 K

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pub_title:
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .3 GPa, T = 16.6 K

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formula: H
compound: Synthetic
formula_title: <missing>
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pub_title:
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .48 GPa, T = 16.6 K

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formula: H
compound: Synthetic
formula_title: <missing>
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beta: 90
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pub_title:
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .5 GPa, T = 57.4 K

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formula: Ca
compound: Synthetic
pub_title: Phase transitions in alkaline earth metals under pressure Sample: P = 26.5 GPa
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formula: Ca
compound: Synthetic
pub_title: Phase transitions in alkaline earth metals under pressure Sample: P = 39 GPa
formula_title: <missing>
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formula: Si
compound: Synthetic
formula_title: <missing>
a: 2.527
b: 2.527
c: 2.373
alpha: 90
beta: 90
gamma: 120
cell_volume: 13.123
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pub_title:
 Structural phase transitions in Si and Ge under pressures up to 50 GPa
 Sample: at P = 19.5 GPa
 Note: phase V, structure stable between 16 GPa & 34 GPa

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formula: Si
compound: Synthetic
formula_title: <missing>
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pub_title:
 Structural phase transitions in Si and Ge under pressures up to 50 GPa
 Sample: at P = 43 GPa
 Note: phase VII, structure stable above 43 GPa

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formula: Co1.2 Cr1.7 Sb.1 O4
compound: <missing>
formula_title: <missing>
a: 8.3461
b: 8.3461
c: 8.3461
alpha: 90
beta: 90
gamma: 90
cell_volume: 581.367
crystal_density: 5.376
atoms_sites: ["Co1", "Cr2", "Co2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.10, Co1.2Cr1.7Sb.1O4

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formula: Co1.4 Cr1.4 Sb.2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3783
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alpha: 90
beta: 90
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cell_volume: 588.122
crystal_density: 5.503
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.20, Co1.4Cr1.4Sb.2O4

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formula: Co1.6 Cr1.1 Sb.3 O4
compound: <missing>
formula_title: <missing>
a: 8.4187
b: 8.4187
c: 8.4187
alpha: 90
beta: 90
gamma: 90
cell_volume: 596.671
crystal_density: 5.611
atoms_sites: ["Co1", "Cr2", "Co2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.30, Co1.6Cr1.1Sb.3O4

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formula: Co1.8 Cr.8 Sb.4 O4
compound: <missing>
formula_title: <missing>
a: 8.4577
b: 8.4577
c: 8.4577
alpha: 90
beta: 90
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cell_volume: 605.002
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atoms_sites: ["Co1", "Cr2", "Co2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.40, Co1.8Cr.8Sb.4O4

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formula: Co2 Cr.5 Sb.5 O4
compound: <missing>
formula_title: Co2Cr.5Sb.5O4
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b: 8.4909
c: 8.4909
alpha: 90
beta: 90
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cell_volume: 612.155
crystal_density: 5.832
atoms_sites: ["Co1", "Cr2", "Co2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.50, Co2Cr.5Sb.5O4

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formula: Co2.2 Cr.2 Sb.6 O4
compound: <missing>
formula_title: Co2.2Cr.2Sb.6O4
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b: 8.5185
c: 8.5185
alpha: 90
beta: 90
gamma: 90
cell_volume: 618.144
crystal_density: 5.955
atoms_sites: ["Co1", "Co2", "Cr2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 0.60, Co2.2Cr.2Sb.6O4

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formula: Co2.333 Sb.667 O4
compound: <missing>
formula_title: Co2.333Sb.667O4
a: 8.5330
b: 8.5330
c: 8.5330
alpha: 90
beta: 90
gamma: 90
cell_volume: 621.306
crystal_density: 6.044
atoms_sites: ["Co1", "Co2", "Sb2", "O"]
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pub_title:
 Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4
 Sample: s = 2/3, Co2.333Sb.667O4

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formula: Mn Si
compound: <missing>
pub_title: Refinement of the structure of MnSi by powder diffraction
formula_title: <missing>
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formula: Mn Si
compound: <missing>
pub_title: Refinement of the structure of MnSi by powder diffraction
formula_title: <missing>
a: 4.55613
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formula: Mn Si
compound: <missing>
pub_title: Refinement of the structure of MnSi by powder diffraction
formula_title: <missing>
a: 4.55643
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formula: Hg7 Cl2 O3
compound: Clear Creek claim, San Benito County, California
formula_title: <missing>
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b: 13.891
c: 6.460
alpha: 90
beta: 90
gamma: 90
cell_volume: 1056.819
crystal_density: 9.572
atoms_sites: ["Hgl", "Hg2", "Hg3", "Hg4", "Hg5", "Cl1", "Cl2", "O1", "O2"]
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pub_title:
 Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from
 the Clear Creek claim, San Benito County, California:
 Description and crystal structure

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formula: Sb Fe2 Si2 O9 H
compound: Tafone mine, Tucsany, Italy
pub_title: Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral
formula_title: <missing>
a: 5.225
b: 8.997
c: 7.780
alpha: 90
beta: 101.71
gamma: 90
cell_volume: 358.121
crystal_density: 4.030
atoms_sites: ["Sb", "Fe", "Si", "O1", "O2", "O3", "O-H", "O4", "O5"]
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formula: Ce Si O4
compound: Synthetic
pub_title: The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2
formula_title: <missing>
a: 6.9564
b: 6.9564
c: 6.1953
alpha: 90
beta: 90
gamma: 90
cell_volume: 299.800
crystal_density: 5.144
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formula: (Ca1.011 Ce3.989) Si3 O13
compound: Synthetic
pub_title: The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2
formula_title: Ca2Ce8(SiO4)6O2
a: 9.4343
b: 9.4343
c: 6.8885
alpha: 90
beta: 90
gamma: 120
cell_volume: 530.976
crystal_density: 5.577
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formula: Fe
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formula: Fe
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formula: Fe
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formula: Fe
compound: Synthetic
pub_title: The lattice expansion of iron Sample: at T = 1653 K
formula_title: <missing>
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formula: Sb
compound: Synthetic
formula_title: <missing>
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b: 4.307
c: 11.273
alpha: 90
beta: 90
gamma: 120
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pub_title:
 50-kilobar gasketed diamond anvil cell for single-crystal X-ray diffractometer
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 Sample: at 2.6 GPa
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 Note: phase known as Sb(I)

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formula: Ta2 V O6
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formula_title: O6 Ta2 V
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pub_title:
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formula: Pb.6 (Ti.2 Ta.8) O3
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pub_title:
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formula: Ce P3 O12
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pub_title:
 Structure cristalline du trimetaphosphate de cerium(III) trihydrate:
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pub_title:
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pub_title:
 Preparation et etude cristallographique du systeme Ba2 Mg U O6 -
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pub_title:
 Preparation et etude cristallographique du systeme Ba2 Mg U O6 -
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formula: Ba (Si1.5 Ge.5) O5
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pub_title: Sur les silicogermanates Ba(Si2-x Gex) O5 isotypes de la sanbornite _cod_database_code 1001036
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formula: Ba Si2 O5
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formula: As2 S O6
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pub_title: Etude structurale du compose As2O3, 1 SO3
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formula: (Na2 Ta2) O5.998
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formula_title: Na2 O6 Ta2
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beta: 90
gamma: 90
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crystal_density: 5.879
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pub_title:
 Sur de nouveaux pyrochlores lacunaires riches en sodium Na1+a Ta1+a
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pub_title:
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pub_title:
 Insertion du niobium et du tantale dans les oxydes de type A3 M8
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 Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities
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pub_title:
 Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities
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pub_title:
 Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland):
 description and crystal structure determination based on data from synchrotron radiation

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formula: Tl Cu (Zn1.16 Fe.46 Hg.38) As2 S6
compound: Lengenbach, Binntal, Ct. Valais, Switzerland
formula_title: <missing>
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pub_title:
 Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite:
 description and crystal structure determination

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formula: Zn S
compound: <missing>
pub_title: Three new polymorphs of zinc sulfide
formula_title: <missing>
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formula: Cs
compound: Synthetic
formula_title: <missing>
a: 5.984
b: 5.984
c: 5.984
alpha: 90
beta: 90
gamma: 90
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pub_title:
 High-pressure polymorphism in cesium
 Sample: at P = 4.1 GPa & T = 27 C
 Note: known as Cesium-II
 Note: stable between 2.37 GPa & 4.22 GPa

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formula: Cs
compound: Synthetic
formula_title: <missing>
a: 5.800
b: 5.800
c: 5.800
alpha: 90
beta: 90
gamma: 90
cell_volume: 195.112
crystal_density: 4.524
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pub_title:
 High-pressure polymorphism in cesium
 Sample: at P = 4.25 GPa & T = 27 C
 Note: known as Cesium-III
 Note: stable between 4.22 GPa & 4.27 GPa

qdat:
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formula: (O H2)
compound: <missing>
pub_title: Structure of ice VI
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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crystal_density: 1.577
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.285
b: 3.285
c: 3.285
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.449
crystal_density: 0.650
atoms_sites: ["Li"]
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 3.3 GPa, T = 296 K
 Note: film # 2-3

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.272
b: 3.272
c: 3.272
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.030
crystal_density: 0.658
atoms_sites: ["Li"]
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 3.5 GPa, T = 296 K
 Note: film # 4-4

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.216
b: 3.216
c: 3.216
alpha: 90
beta: 90
gamma: 90
cell_volume: 33.262
crystal_density: 0.693
atoms_sites: ["Li"]
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atoms_aniso_u23: 0
pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 4.7 GPa, T = 296 K
 Note: film # 4-5

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.217
b: 3.217
c: 3.217
alpha: 90
beta: 90
gamma: 90
cell_volume: 33.293
crystal_density: 0.692
atoms_sites: ["Li"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_aniso_u23: 0
pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 4.7 GPa, T = 296 K
 Note: film # 2-4

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.161
b: 3.161
c: 3.161
alpha: 90
beta: 90
gamma: 90
cell_volume: 31.584
crystal_density: 0.730
atoms_sites: ["Li"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 6.6 GPa, T = 296 K
 Note: film # 2-5

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.900
b: 3.900
c: 3.900
alpha: 90
beta: 90
gamma: 90
cell_volume: 59.319
crystal_density: 0.777
atoms_sites: ["Li"]
atoms_x: AAAAAA==
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 8.0 GPa, T = 296 K
 Note: film # 4-7

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.855
b: 3.855
c: 3.855
alpha: 90
beta: 90
gamma: 90
cell_volume: 57.289
crystal_density: 0.805
atoms_sites: ["Li"]
atoms_x: AAAAAA==
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atoms_aniso_u23: 0
pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 9.6 GPa, T = 296 K
 Note: film # 2-8

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.843
b: 3.843
c: 3.843
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.756
crystal_density: 0.812
atoms_sites: ["Li"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 9.8 GPa, T = 296 K
 Note: film # 4-9

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.832
b: 3.832
c: 3.832
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.270
crystal_density: 0.819
atoms_sites: ["Li"]
atoms_x: AAAAAA==
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 9.9 GPa, T = 296 K
 Note: film # 4-10

qdat:
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formula: Li
compound: Synthetic
formula_title: <missing>
a: 3.828
b: 3.828
c: 3.828
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.094
crystal_density: 0.822
atoms_sites: ["Li"]
atoms_x: AAAAAA==
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pub_title:
 Lithium, compression and high-pressure structure
 Sample: at P = 10.1 GPa, T = 296 K
 Note: film # 4-11

qdat:
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formula: H
compound: Synthetic
formula_title: <missing>
a: 2.659
b: 2.659
c: 4.334
alpha: 90
beta: 90
gamma: 120
cell_volume: 26.537
crystal_density: 0.126
atoms_sites: ["H"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 5.40 GPa, T = 300 K

qdat:
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formula: H
compound: Synthetic
formula_title: <missing>
a: 2.5058
b: 2.5058
c: 4.074
alpha: 90
beta: 90
gamma: 120
cell_volume: 22.154
crystal_density: 0.151
atoms_sites: ["H"]
atoms_x: VVgUAA==
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pub_title:
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 10.1 GPa, T = 300 K

qdat:
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formula: H
compound: Synthetic
formula_title: <missing>
a: 2.393
b: 2.393
c: 3.885
alpha: 90
beta: 90
gamma: 120
cell_volume: 19.267
crystal_density: 0.174
atoms_sites: ["H"]
atoms_x: VVgUAA==
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pub_title:
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 15.0 GPa, T = 300 K

qdat:
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formula: H
compound: Synthetic
formula_title: <missing>
a: 2.308
b: 2.308
c: 3.703
alpha: 90
beta: 90
gamma: 120
cell_volume: 17.083
crystal_density: 0.196
atoms_sites: ["H"]
atoms_x: VVgUAA==
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 21.4 GPa, T = 300 K

qdat:
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formula: H
compound: Synthetic
formula_title: <missing>
a: 2.259
b: 2.259
c: 3.609
alpha: 90
beta: 90
gamma: 120
cell_volume: 15.950
crystal_density: 0.210
atoms_sites: ["H"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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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:
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 26.5 GPa, T = 300 K

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: MgSiO3
a: 2.456
b: 8.042
c: 6.093
alpha: 90
beta: 90
gamma: 90
cell_volume: 120.344
crystal_density: 5.541
atoms_sites: ["Mg", "Si", "O1", "O2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAA==
atoms_y: IHEPAAAAAADgVTgAYIMmAA==
atoms_z: QEIPAAAAAABAQg8AgJwaAA==
atoms_occupancy: 0
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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:
 Post-perovskite phase transition in MgSiO3
 Sample: P = 121 GPa, T = 300 K
 Note: CaIrO3-type structure from ab initio calculations using observed cell parameters

qdat:
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formula: Si O2
compound: <missing>
pub_title: The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K
formula_title: SiO2
a: 3.9299
b: 3.9299
c: 3.9299
alpha: 90
beta: 90
gamma: 90
cell_volume: 60.694
crystal_density: 6.575
atoms_sites: ["Si", "O"]
atoms_x: AAAAAMBDFQA=
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formula: Fe4.93 (O8 H)
compound: Synthetic
pub_title: The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd6
formula_title: <missing>
a: 5.928
b: 5.928
c: 9.126
alpha: 90
beta: 90
gamma: 120
cell_volume: 277.733
crystal_density: 4.835
atoms_sites: ["Fe1", "Fe2", "Fe3", "O-H1", "O2", "O3", "O4"]
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray
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 "Ba2BiO4" surprisingly found as a cubic double perovskite
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 Structural characterization of R2BaNiO5 (R=Tm and Yb): polymorphism for R=Tm
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 Crystal structure of La1.85 Ba0.15 Ca Cu2 O6+y determined by neutron
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 Structure of superconductors. X. Thermal, microscopic and x-ray investigation
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 Structure of superconductors. X. Thermal, microscopic and x-ray investigation
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formula: Cu Mn O2
compound: Synthetic
formula_title: <missing>
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 The crystal structure and composition of crednerite, CuMnO2
 Note: calculated bond lengths unreconcileable with reported

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formula: (Y.85 Yb.15) Nb O4
compound: Ural Mountains, Russia
pub_title: The structure of natural fergusonite, and a polymorphic modification
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formula: Ca2 Fe P2 O12 H8
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pub_title: The crystal structure of anapaite
formula_title: <missing>
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formula: Bi3 Te5.25 Pb.75
compound: <missing>
pub_title: An electron diffraction study of the structure of PbBi4Te7 Loality: synthetic
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formula: Cu Te
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pub_title: Study of the copper-tellurium system in thin films
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formula: Pb U Si O6
compound: <missing>
pub_title: The crystal structure of kasolite
formula_title: <missing>
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formula: Ag35 Te20
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pub_title: Determination of the crystal structure of the hexagonal phase in the silver-tellurium system
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formula: (Ti.5 Ta.5) O2
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formula: (V.5 Ta.5) O2
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formula: (Cr.5 Ta.5) O2
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formula: (Fe.5 Ta.5) O2
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formula: Fe1.2 Cr1.8 S4
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formula: (Cu.2 Fe.8) Cr2 S4
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formula: Cu1.6 Zn.28 Hg.875 Sn S4
compound: Khaidarkan, Kyrgyzstan
pub_title: Crystal structure of velikite Cu3.75Hg1.75Sn2S8
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formula: Bi Fe2 Si2 O9 H
compound: Schneeberg, Saxony, Germany
formula_title: <missing>
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b: 9.02
c: 7.74
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beta: 100.667
gamma: 90
cell_volume: 357.450
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pub_title:
 Determination of the crystal structures of chapmanite and bismuthoferrite by
 high-voltage electron diffraction

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formula: Sb Fe2 Si2 O9 H
compound: Smilokov, Czechoslovakia
formula_title: <missing>
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b: 8.99
c: 7.70
alpha: 90
beta: 100.67
gamma: 90
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crystal_density: 4.088
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pub_title:
 Determination of the crystal structures of chapmanite and bismuthoferrite by
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 Note: z(O3) corrected

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formula: K6 Na (Fe18 Cu6) S26 Cl
compound: Khibiny massif, Kola peninsula, Russia
pub_title: Close packing and cation arrangement in the djerfisherite structure
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formula: Ca5 Si2 O10 H2
compound: Synthetic
pub_title: Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4
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formula: (Ca.94 Na.06) Ta3.86 Nb.13 O10.97
compound: Kola Peninsula, Russia
formula_title: <missing>
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pub_title:
 Identity of ungursaite with calciotantite and synthetic CaTa4O11
 Note: displacement parameters taken from ICSD

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formula: Mg U2 Si2 O16 H8
compound: <missing>
pub_title: The crystal structure of sklodowskite
formula_title: <missing>
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formula: Sb
compound: Synthetic
formula_title: <missing>
a: 2.96
b: 2.96
c: 2.96
alpha: 90
beta: 90
gamma: 90
cell_volume: 25.934
crystal_density: 7.795
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pub_title:
 Phase transitions in antimony at high pressures
 Sample: at P = 5 GPa
 Note: known as the high pressure phase of antimony

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formula: Sn Ta2 O6
compound: Manono, Katanga, Democratic Republic of the Congo
pub_title: Crystal structure of thoreaulite, SaTa2O6
formula_title: <missing>
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alpha: 90
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formula: Na (Cu1.34 Fe.44 Zn.22) S2
compound: Lake Baikal region, Russia
pub_title: Crystal structure of natural alkaline sulfide, chvilevaite, Na(Cu,Fe,Zn)2S2
formula_title: <missing>
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b: 3.873
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formula: In Cl5 O K2 H2
compound: <missing>
formula_title: Cl5 H2 In K2 O
a: 13.905
b: 9.952
c: 7.185
alpha: 90
beta: 90
gamma: 90
cell_volume: 994.279
crystal_density: 2.594
atoms_sites: ["In1", "Cl1", "Cl2", "Cl3", "Cl4", "O1", "K1", "H1"]
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pub_title:
 Structural stdudy of K2 In Cl5, H2 O by X-Ray, Raman and IR spectroscopies
 _cod_database_code 1004070

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formula: Sn Sb
compound: Synthetic
pub_title: X-ray studies on the systems of tin-antimony and tin-arsenic
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formula: As3 Fe4 O23 H18
compound: Cornwall, England
pub_title: Formel und strukturtyp des pharmakosiderits Note: the K atom could not be located
formula_title: <missing>
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b: 7.91
c: 7.91
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beta: 90
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formula: K Al4 As3 O23 H18
compound: <missing>
pub_title: Formel und strukturtyp des pharmakosiderits
formula_title: <missing>
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cell_volume: 460.100
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formula: Fe Sb2 O4
compound: Pernek, Slovakia - 30 km north of Bratislava
pub_title: Formel und kristallstruktur des schafarzikits
formula_title: <missing>
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b: 8.59
c: 5.92
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beta: 90
gamma: 90
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formula: Cu As2 O4
compound: Copiapo, Chile
formula_title: <missing>
a: 8.59
b: 8.59
c: 5.56
alpha: 90
beta: 90
gamma: 90
cell_volume: 410.262
crystal_density: 4.491
atoms_sites: ["Cu", "As", "O1", "O2"]
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pub_title:
 Formel und kristallstruktur des trippkeits
 Note: coordinates of Cu and As corrected per Pertlik, 1975

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formula: Fe Te2 O6 H
compound: Synthetic
pub_title: Hydrothermalsynthese, formel und struktur von mackayit, Fe(OH)[Te2O5]
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formula: Ba Ca.48 Ce.2 Na.15 K.11 Sr.03 U.02 C O3
compound: <missing>
formula_title: <missing>
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b: 5.284
c: 12.78
alpha: 90
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pub_title:
 Ewaldite, a new barium calcium carbonate II. Its crystal structure
 Note: unlocated carbonate group

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formula: Mg3 F3 B O3
compound: Nocera, Italy
pub_title: Refinement of the crystal structure of fluoborite, Mg3(F,OH)3(BO3)
formula_title: <missing>
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b: 8.827
c: 3.085
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beta: 90
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formula: Pb2 Cl2 C O3
compound: Monteponi Mine, Iglesias, Iglesiente district, Cagliari Province, Sardinia, Italy
pub_title: Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3)
formula_title: <missing>
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b: 8.160
c: 8.883
alpha: 90
beta: 90
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formula: Na3 Mg C2 O6 Cl
compound: Searles Lake, California, USA
pub_title: Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl
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formula: Cu As2 O4
compound: <missing>
pub_title: Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4
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formula: Fe Sb2 O4
compound: Pernek, Slowakei, CSSR
pub_title: Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4
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formula: Hg6 Cl3 O2
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 4123.709
crystal_density: 8.646
atoms_sites: ["Hg", "Cl", "O"]
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pub_title:
 Neubearbeitung des quecksilberminerals eglestonit:
 kristallstruktur, chemische zusammensetzung und synthese
 Note: Synthetic sample.

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formula: Ca1.05 Fe.63 Mg.27 Mn.05 C2 O6
compound: Erzberg, Etage Dreikonig, Styria, Austria
pub_title: Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite
formula_title: <missing>
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formula: Ca (Mg.94 Fe.05 Mn.01) C2 O6
compound: Oberdorf, Styria, Austria
pub_title: Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite
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formula: Cu Te O5 H4
compound: <missing>
pub_title: Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) Note: Synthetic sample.
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formula: Na2 Mg Al F7
compound: Ivigtut, Greenland
pub_title: Re-examination of the crystal structure of weberite
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formula: Pb5 Cl As3 O9
compound: Langban, Varmland, Sweden
formula_title: <missing>
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b: 10.322
c: 7.054
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beta: 90
gamma: 120
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pub_title:
 Die kristallstruktur des finnemanits, Pb5Cl(AsO3)3, mit einem
 vergleich zum strukturtyp des chlorapatits, Ca5Cl(PO4)3

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formula: (Ca.94 Na.06) (Mg.964 Fe.036) Si2 O6
compound: manganese deposit of Praborna, St Marcel, Aosta Valley, Italy
pub_title: Violan revisited: Mn-bearing Omphacite and Diopside
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formula: Ca2 C O3 F2
compound: <missing>
pub_title: Die kristallstruktur von brenkit, Ca2F2CO3
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formula: Hg4 Sb O6 H3
compound: Moschellandsberg, Palatinate, Germany
formula_title: <missing>
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b: 15.098
c: 5.433
alpha: 90
beta: 98.86
gamma: 90
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pub_title:
 New data on the mercury antimony mineral shakhovite: Chemical composition,
 unit cell and crystal structure

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formula: Pb S O3
compound: Susanna mine, Leadhills, Lanarkshire, Scotland
pub_title: The crystal structure of scotlandite, PbSO3
formula_title: <missing>
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formula: Cr O2 H
compound: Guyana
pub_title: Merumite, a complex assemblage of chromium minerals from Guyana
formula_title: <missing>
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b: 9.860
c: 2.974
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formula: Na Al C O5 H2
compound: Khibiny alkaline massif, Kola peninsula, Russia
formula_title: <missing>
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beta: 90
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 Crystal structure of dawsonite, NaAl(CO3)(OH)2 and its first discovery in the
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 520 C

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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 598 C

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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 647 C

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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 680 C

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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 694 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 719 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 821 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 861 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 907 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1003 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1027 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1049 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1082 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1098 C

qdat:
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compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1117 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1128 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1142 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1160 C

qdat:
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formula: Co
compound: Synthetic
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a: 3.6052
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alpha: 90
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1191 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1201 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1253 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1312 C

qdat:
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formula: Co
compound: Synthetic
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pub_title:
 Uber die temperaturabhangigkeit der gitterparameter von eisen, kobalt
 und nickel im bereich hoher temperaturen
 Sample: at T = 1398 C

qdat:
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pub_title:
 Uber den bau des sogenannten antimontetroxyds
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formula: Na5 Al3 F14
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pub_title: Die kristallstruktur des chioliths
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formula: Na Sb (O6 H6)
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pub_title: Rontgenuntersuchung der verbindungen NaSb(OH)6, NaSbF6, NaSbO3 und gleichartiger stoffe
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formula: Sb Ta O4
compound: Grande Mesa, California, USA
pub_title: Uber den bau des wahren antimontetroxyds und des damit isomorphen stibiotantalits, SbTaO4
formula_title: <missing>
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formula: Sb O2
compound: <missing>
pub_title: Uber den bau des wahren antimontetroxyds und des damit isomorphen stibiotantalits, SbTaO4
formula_title: <missing>
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formula: Co3 S4
compound: <missing>
pub_title: Rontgenuntersuchung des systems Co-S
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formula: Co Te2
compound: <missing>
pub_title: Uber diselenide und ditelluride von eisen, kobalt und nickel
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formula: Fe Te2
compound: <missing>
pub_title: Uber diselenide und ditelluride von eisen, kobalt und nickel
formula_title: <missing>
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c: 6.26
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formula: Fe Se2
compound: <missing>
pub_title: Uber diselenide und ditelluride von eisen, kobalt und nickel
formula_title: <missing>
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c: 5.715
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formula: Mg2 V O4
compound: <missing>
pub_title: Die struktur der magnesium- und zink-vanadinspinelle
formula_title: Mg2VO4
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formula: Zn V2 O4
compound: <missing>
pub_title: Die struktur der magnesium- und zink-vanadinspinelle
formula_title: ZnV2O4
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formula: Bi F3
compound: <missing>
pub_title: Der kristallbau von a-BiF3
formula_title: <missing>
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c: 5.853
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formula: Ni (O2 H2)
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pub_title: Die struktur hoherer nickelhydroxyde
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formula: Ni (O2 H2)
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pub_title: Die struktur hoherer nickelhydroxyde
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formula: Ni (O2 H)
compound: Synthetic
pub_title: Die struktur hoherer nickelhydroxyde
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formula: Ni (O2 H)
compound: Synthetic
pub_title: Die struktur hoherer nickelhydroxyde
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formula: Be (O2 H2)
compound: <missing>
pub_title: Kristallstruktur von beta-Be(OH)2
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formula: Mg In2 S4
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formula_title: MgIn2S4
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b: 10.687
c: 10.687
alpha: 90
beta: 90
gamma: 90
cell_volume: 1220.583
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pub_title:
 Untersuchungen uber ternaere chalkogenide. I. Uber die
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formula: Ca In2 S4
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pub_title:
 Untersuchungen uber ternare chalkogenide. I. Uber die
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formula: Cd In2 S4
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pub_title:
 Untersuchungen uber ternare chalkogenide. I. Uber die
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formula: Hg In2 S4
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formula_title: HgIn2S4
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beta: 90
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pub_title:
 Untersuchungen uber ternaere chalkogenide. I. Uber die
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pub_title:
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pub_title:
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 Refinement of the crystal and frustrated magnetic structures of the
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pub_title: Terlinguait Hg4O2Cl2 - ein mineral mit ungewohnlichen Hg3-baueinheiten
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pub_title:
 Mischkristallbildung in den systemen As2O5/SbAsO5 und As2O5/AsPO5 bestimmung
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pub_title:
 Mischkristallbildung in den Systemen As2O5/SbAsO5 und As2O5/AsPO5: bestimmung
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 Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
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 Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
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pub_title:
 Reaktionen von diorganogallium(indium)fluoriden.
 Die kristallstrukture von Mes2InF
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pub_title:
 Localization of hydrogen and content of oxonium cations in alunite via neutron
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 Sample: T = 2 K

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pub_title:
 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Sample: T = 298 K

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 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Sample: T = 120 K

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pub_title:
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 Sample: T = 50 K

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pub_title:
 Low temperature investigations of hydrogen bridge bonds in the hydroxides
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 Sample: T = 5 K

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pub_title: Die kristallstrukturen von Bi2Pt und Sn2Pt
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formula: Pt Sn2
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formula: Mn Si
compound: <missing>
pub_title: Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel
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formula: S
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formula_title: <missing>
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pub_title:
 Redetermination of the crystal and molecular structure of cyclohexasulfur, S6
 Sample: at T = 183 K

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formula: As2 O5
compound: <missing>
pub_title: On a new modification of As2O5 Note: Sample at T = 310 C
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formula: As P O4
compound: <missing>
pub_title: Preparation and crystal structure of arsenic(III) phosphorus(V) oxide, AsPO4
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formula: As3 O6 H
compound: <missing>
pub_title: Darstellung und kristallstruktur von arsen(III)arsen(V)oxidhydroxid As3O5(OH)
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formula: As Sb O3
compound: <missing>
pub_title: Darstellung und kristallstruktur von monoklinem arsen(III)antimon(III)oxid, AsSbO3
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pub_title:
 X-ray structural analyses of cyclodecasulfur (S10) and of a
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 Sample: at T = 163 K

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pub_title:
 X-ray structural analyses of cyclodecasulfur (S10) and of a
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 Sample: at T = 163 K
 Note: structure pertaining to mix of S6 and S10

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formula: Hg3 P O4 Cl
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formula_title: Hg3PO4Cl
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pub_title:
 Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and
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pub_title:
 Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and
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pub_title:
 Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and
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formula: Ce8 Pd24 Sb
compound: <missing>
pub_title: Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb _cod_database_code 1005033
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 Crystallographic study of tetragonal, superconducting
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 Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
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 Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d
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 Oxygen vacancy ordering in La(2-x) Sr(x) Ni O(4-delta) (0 <= x <=0.5):
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 Oxygen vacancy ordering in La(2-x) Sr(x) Ni O(4-delta) (0 <= x <=0.5):
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 Oxygen vacancy ordering in La(2-x) Sr(x) Ni O(4-delta) (0 <= x <=0.5):
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