# cif

formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3078
b: 2.3078
c: 3.6105
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.653
crystal_density: 1.797
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 567.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAgBAAAAAAAAAAAAAAAAAAQAAAAAAAAAAABAAAAAAAAAAEAABAACCAAAAAAAgAABAAAAAAAIAAAAAAAAQACAACAAAAAIAAIAAAQAIQAAAAACAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3091
b: 2.3091
c: 3.6127
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.682
crystal_density: 1.794
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 601.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAgBAAAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAAAAAAAAEAABAACCAAAAAAAgAACAAAAAAAQAAAAAAAAgAEAAEAAAAAIAAQAAAQAQQAAAAAEAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3140
b: 2.3140
c: 3.6190
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.782
crystal_density: 1.783
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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atoms_aniso_u13: 0
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pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 695 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAABACAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAAAAAAAAIAAEAAEEAAAAAABAAAEAAAAAAAgAAAAAAABAAIAAIAAAABAABAAABAAhAAAAAAIAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3148
b: 2.3148
c: 3.6199
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.798
crystal_density: 1.782
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 716 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAABACAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAAAAAAAAIAAEAAEIAAAAAACAAAIAAAAAAAgAAAAAAABAAQAAQAAAABAABAAABABBAAAAAAQAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3189
b: 2.3189
c: 3.6251
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.882
crystal_density: 1.773
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 793.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAABACAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAAAAAAAAQAAIAAQQAAAAAAEAAAQAAAAAABAAAAAAAAEAAgAAgAAAACAACAAAEACIAAAAABAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3193
b: 2.3193
c: 3.6255
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.889
crystal_density: 1.772
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 807.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAABACAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAAAAAAAAQAAIAAQQAAAAAAEAAAQAAAAAABAAAAAAAAEABAABAAAAACAACAAAEACIAAAAABAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3241
b: 2.3241
c: 3.6220
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.943
crystal_density: 1.767
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 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:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 895 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAEAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAAAAAAAAAAQAAgAAQgAAAAAACAAAgAAAAAABAAAAAAAAIACAACAAAAACAAIAAACACQAAAAABAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3241
b: 2.3241
c: 3.6220
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.943
crystal_density: 1.767
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 901.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAEAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAAAAAAAAAAQAAgAAQgAAAAAACAAAgAAAAAABAAAAAAAAIACAACAAAAACAAIAAACACQAAAAABAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3249
b: 2.3249
c: 3.6227
alpha: 90
beta: 90
gamma: 120
cell_volume: 16.958
crystal_density: 1.765
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 904.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAEAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAAAAAAAAQAAgAAggAAAAAACAAAgAAAAAABAAAAAAAAIACAACAAAAACAAQAAACAEgAAAAACAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3298
b: 2.3298
c: 3.6296
alpha: 90
beta: 90
gamma: 120
cell_volume: 17.062
crystal_density: 1.754
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
atoms_occupancy: 0
atoms_u_iso: 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:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 989.5 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAACAIAAAAAAAAAAAAAAAAACAAAAAAAAAAABAAAAAAAAAABAABAABCAAAAAAAEAACAAAAAAAEAAAAAAAAQAIAAIAAAAAQAAgAAAIASAAAAAAIAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3300
b: 2.3300
c: 3.6297
alpha: 90
beta: 90
gamma: 120
cell_volume: 17.065
crystal_density: 1.754
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
atoms_z: QEIPAA==
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:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 1004 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAACAIAAAAAAAAAAAAAAAAACAAAAAAAAAAABAAAAAAAAAABAABAABCAAAAAAAEAACAAAAAAAEAAAAAAAAQAIAAIAAAAAQAAgAAAIASAAAAAAIAAA==


formula: Be
compound: Synthetic
formula_title: <missing>
a: 2.3300
b: 2.3300
c: 3.6294
alpha: 90
beta: 90
gamma: 120
cell_volume: 17.064
crystal_density: 1.754
atoms_sites: ["Be"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high temperature precision X-ray camera: some measurements of the thermal
 coefficients of expansion of beryllium
 Sample: at T = 1013 C

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAACAIAAAAAAAAAAAAAAAAACAAAAAAAAAAABAAAAAAAAAABAABAABCAAAAAAAEAACAAAAAAAEAAAAAAAAQAIAAIAAAAAQAAgAAAIASAAAAAAIAAA==


formula: V
compound: Synthetic
pub_title: Absorption correction in precision determination of lattice parameters
formula_title: <missing>
a: 3.0236
b: 3.0236
c: 3.0236
alpha: 90
beta: 90
gamma: 90
cell_volume: 27.642
crystal_density: 6.120
atoms_sites: ["V"]
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
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAABAAAAAAAAAAAAAgAAAAAAAAAAEAAAAAAAAAAgAAAAAAAAEAAAAAAAAEAAAAAAAAgAAAAAAAgAAAAAAEAAA==


formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.6150
b: 3.6150
c: 3.6150
alpha: 90
beta: 90
gamma: 90
cell_volume: 47.242
crystal_density: 8.935
atoms_sites: ["Cu"]
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:
 Lattice parameter determinations with an X-ray spectrogoniometer by
 the Debye-Scherrer method and the effect of specimen condition

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAQAAAIAAAAAAAAAAAAAABAAAAAAAAAAQAAEAAAAAAAAAAAAgAAAAAAAEAAAAAAAAAAAAAgA==


formula: Mn Cr2 S4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: Cr2MnS4
a: 10.110
b: 10.11
c: 10.11
alpha: 90
beta: 90
gamma: 90
cell_volume: 1033.364
crystal_density: 3.692
atoms_sites: ["Mn", "Cr", "S"]
atoms_x: AAAAAKAlJgDwkxcA
atoms_y: AAAAAKAlJgDwkxcA
atoms_z: AAAAAKAlJgDwkxcA
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAIAAACAAAgACAAQAIAAAIAgCAIBAIBAAECAgQIEEACBBBABCACEIIQhAEIRCEQCEQiIQEREAkBERIiBESJECRIkgSRBEEkkSCSSSASikEpBISUkhSUkKSFCUgQFSkQpSBUqBCFEIGFBCCEQSAAKIgAQAEQIAA==


formula: Fe Cr2 S4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: <missing>
a: 9.995
b: 9.995
c: 9.995
alpha: 90
beta: 90
gamma: 90
cell_volume: 998.501
crystal_density: 3.833
atoms_sites: ["Fe", "Cr", "S"]
atoms_x: AAAAAKAlJgCgfxcA
atoms_y: AAAAAKAlJgCgfxcA
atoms_z: AAAAAKAlJgCgfxcA
atoms_occupancy: 0
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qdat:
AAAAAAAAAAEAAABAAAQAAgAEACAAACAEAQCAIBAQABAQECBAgQAIIEEAIIAIQQhCEAIhCEIgCIREIgIREBEBESIiAkRIkCJEiQJIgkCSRJBJJJAJJJBRQUEkpISkpCShISkCAqShCpQFSoEQoQgoUCIERAoAAURAAgAIgI==


formula: Co Cr2 S4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: CoCr2S4
a: 9.923
b: 9.923
c: 9.923
alpha: 90
beta: 90
gamma: 90
cell_volume: 977.078
crystal_density: 3.959
atoms_sites: ["Co", "Cr", "S"]
atoms_x: AAAAAKAlJgBQUhcA
atoms_y: AAAAAKAlJgBQUhcA
atoms_z: AAAAAKAlJgBQUhcA
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAEAAAAgAAIAAQACABAAABACAIAgEAgEAAQEBAgQIEACBBBABBACCEEIQgCEEQhEARCIREAiIgEgESIiIERIkQIkSJAkSBIJEkkCSSSASSSCkgkJJSQkpJCkhQkoCBJUhCpQJUoEIkQgUSBECIgkAAKIgAQAEQ==


formula: Cu Cr2 S4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: <missing>
a: 9.814
b: 9.814
c: 9.814
alpha: 90
beta: 90
gamma: 90
cell_volume: 945.232
crystal_density: 4.157
atoms_sites: ["Cu", "Cr", "S"]
atoms_x: AAAAAKAlJgCQcRcA
atoms_y: AAAAAKAlJgCQcRcA
atoms_z: AAAAAKAlJgCQcRcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
AAAAAAAAAACAAAAQAAEAAIABAAQAAAQAgBAIAgEAgACAgIECBAgAIIIEAEEAIIQQhBAEIQhEIAiEQiIBEQgIgIiIiIERIiIEiRIgSRAkEiSSBJJJAIlFBJIJCSSkJJSQlIKElAQJSUIkpAqSgQiRECRIIQIiBQAAohAAgA==


formula: Zn Cr2 S4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: <missing>
a: 9.986
b: 9.986
c: 9.986
alpha: 90
beta: 90
gamma: 90
cell_volume: 995.806
crystal_density: 3.971
atoms_sites: ["Zn", "Cr", "S"]
atoms_x: AAAAAKAlJgAgcxcA
atoms_y: AAAAAKAlJgAgcxcA
atoms_z: AAAAAKAlJgAgcxcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAEAAABAAAQAAgAEACAAACAEAQBAIBAQAAgQECBAgQAIEEEAEEAIIQghCAIQiEIQCERCIgEREBEAkRERAkRIiBIkSIIkgSCJJIgkkkgEkohJIKCikkKSUhKQkKUBAlRQiVIEpUEIUIQUKCEEIgUAAKIgAgAIQE==


formula: Zn Cr2 O4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: <missing>
a: 8.321
b: 8.321
c: 8.321
alpha: 90
beta: 90
gamma: 90
cell_volume: 576.138
crystal_density: 5.381
atoms_sites: ["Zn", "Cr", "O"]
atoms_x: AAAAAKAlJgAwzBcA
atoms_y: AAAAAKAlJgAwzBcA
atoms_z: AAAAAKAlJgAwzBcA
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAAAEAAAABAAABAAAQAAQABAAAACABABACACAIAQAAIBAIBAICAgACAgQIABAgAQIIEEECACCEEEEIAQQhBCEAQhCAIQCEQhEIBEIiIQEIiIiAiIgIgIiREgIkRIgCJEiBIkBIEkkSCJEkgkiCQSSAQCSSQQkU==


formula: Mn Cr2 O4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: <missing>
a: 8.437
b: 8.437
c: 8.437
alpha: 90
beta: 90
gamma: 90
cell_volume: 600.571
crystal_density: 4.931
atoms_sites: ["Mn", "Cr", "O"]
atoms_x: AAAAAKAlJgAgvhcA
atoms_y: AAAAAKAlJgAgvhcA
atoms_z: AAAAAKAlJgAgvhcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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qdat:
AAAAAAAAAAAAIAAAAEAAAEAABAABAAIAAAAQAQAIAQAgBAEAACAQCAQEBAQABAgIEABAgAQIIEEEEAEEEIIIQAhBCEIQBCEIAiAIhCIRAIhEQiAiISEQIRECICJESIERIkQAkiRAiSBIIkkSBJJJAkkEgkkAgEkpAhJKAS==


formula: Cd Cr2 O4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: CdCr2O4
a: 8.596
b: 8.596
c: 8.596
alpha: 90
beta: 90
gamma: 90
cell_volume: 635.169
crystal_density: 5.864
atoms_sites: ["Cd", "Cr", "O"]
atoms_x: AAAAAKAlJgCAxxcA
atoms_y: AAAAAKAlJgCAxxcA
atoms_z: AAAAAKAlJgCAxxcA
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
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qdat:
AAAAAAAAAAAAQAAAAQAAAQAAIAAQABAAAAEAEAEAIAQBAEAACAQCAQEBAQACBAQIACCAAggggQQgAgghBCCAIIQhCEAQhEARAEQiEQgIRERCAiIiIgJEQEQIkREgREiRAEiRIEkQSBIkkgkSSQSSCQSSAQEilAhRKAUooB==


formula: Cd Cr2 Se4
compound: Synthetic
pub_title: Crystallographic study of chromium spinels
formula_title: CdCr2Se4
a: 10.740
b: 10.740
c: 10.740
alpha: 90
beta: 90
gamma: 90
cell_volume: 1238.833
crystal_density: 5.707
atoms_sites: ["Cd", "Cr", "Se"]
atoms_x: AAAAAKAlJgBgxBcA
atoms_y: AAAAAKAlJgBgxBcA
atoms_z: AAAAAKAlJgBgxBcA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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qdat:
AAAAAAAAACAAABAABAAEABABAAAEAQBAIBAQEAAgQIECCCABBCCAEEAQhCEIQCEQiIQEQiIiAiJARAkRIkCJEkQRJJEEkgkEkkkIpJICUkhSQkKSlCUpQpQoSkCCVKIVKBlUCIoRBRIIgiIKAASJACAAiBAAABEAAAAIAA==


formula: Al2 O3
compound: <missing>
formula_title: <missing>
a: 4.7657
b: 4.7657
c: 13.010
alpha: 90
beta: 90
gamma: 120
cell_volume: 255.895
crystal_density: 3.970
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
atoms_y: AAAAAAAAAAA=
atoms_z: AHwVAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: qBsAAJgrAAA=
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:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 0 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 28 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 42 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 60 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 74 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 81 kbar

qdat:
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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 90 kbar

qdat:
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formula: Al2 O3
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pub_title: Crystal structure and compression of ruby to 46 kbar P = 0.001 kbar
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formula: Al2 O3
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pub_title: Crystal structure and compression of ruby to 46 kbar P = 11 kbar
formula_title: <missing>
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formula: Al2 O3
compound: <missing>
pub_title: Crystal structure and compression of ruby to 46 kbar P = 21 kbar
formula_title: <missing>
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formula: Al2 O3
compound: <missing>
pub_title: Crystal structure and compression of ruby to 46 kbar P = 28 kbar
formula_title: <missing>
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formula: Al2 O3
compound: <missing>
pub_title: Crystal structure and compression of ruby to 46 kbar P = 35 kbar
formula_title: <missing>
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formula: Al2 O3
compound: <missing>
pub_title: Crystal structure and compression of ruby to 46 kbar P = 46 kbar
formula_title: <missing>
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formula: Al2 O3
compound: <missing>
pub_title: Crystal structure and compression of ruby to 46 kbar P = 80 kbar
formula_title: <missing>
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formula: Si O2
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beta: 90
gamma: 90
cell_volume: 169.307
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pub_title:
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 10 K

qdat:
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pub_title:
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 296 K

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pub_title:
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 473 K

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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25C
 Note: lattice parameter is average of four samples

qdat:
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25C
 Note: latice parameter is average of four samples

qdat:
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formula: Al
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples

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formula: Au
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of 1 sample

qdat:
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formula: Mo
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of two samples

qdat:
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formula: W
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pub_title: Precision determination of lattice constants Sample: at T = 25 C Note: sample 1
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formula: Mg
compound: Synthetic
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of four samples

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pub_title: Physical properties and cation arrangement of oxides with spinel structures
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pub_title: Neutron diffraction study of calcium hydroxide _cod_database_code 1000045
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formula: Xe
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formula: Xe
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formula: Xe
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formula: F
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formula_title: <missing>
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pub_title:
 Single-crystal X-ray diffraction study of beta-fluorine
 Note: T = 50 K
 Note: beta phase, stable between T = 45.55 K & 53.54 K

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pub_title:
 Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate
 Sample: T = -25 C, 6.4C2H4O*46H2O

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formula: Cu Cl3 N C2
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pub_title: Crystal structure and optical properties of (CH3)2NH2CuCl3
formula_title: (CH3)2NH2CuCl3
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pub_title:
 Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt
 chloride dihydrate
 Sample: at T = 5 K

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pub_title:
 Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt
 chloride dihydrate
 Sample: at T = 298 K

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pub_title:
 Crystal structure by neutron diffraction and the antiferroelectric phase
 transition in copper formate tetrahydrate

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compound: <missing>
pub_title: Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K Sample: T = 298 K
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compound: <missing>
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formula: Si N2 F6 H8
compound: Synthetic
formula_title: <missing>
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b: 8.395
c: 8.395
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beta: 90
gamma: 90
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pub_title:
 Structure of cubic ammonium fluosilicate: Neutron-diffraction and
 neutron-inelastic-scattering studies

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formula: Li Al O2
compound: <missing>
pub_title: High-pressure synthesis and crystal structure of alpha-LiAlO2
formula_title: LiAlO2
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pub_title:
 Polymorphism of LiMO2 compounds and high-pressure single-crystal synthetis of LiBO2
 Note: this is the gamma phase, synthesized at 15 kbar and 950 C

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pub_title:
 Neutron-diffraction study of the structures of ferroelectric and paraelectric
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 Note: paraelectric, T = 298 K

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pub_title:
 Neutron-diffraction study of the structures of ferroelectric and paraelectric
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 Note: ferroelectric, T = 180 K

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pub_title: On the structure of trigonal ammonium fluorosilicate
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pub_title:
 Crystal structure of alpha-fluorine
 Sample: at T = 23 K
 Note: alpha phase, stable between T = 0 K & 45.6 K

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pub_title:
 Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2
 Note: X-ray study
 Note: polytype known as Heterogenite-3R

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compound: <missing>
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pub_title:
 Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2
 Note: Neutron study
 Note: polytype known as Heterogenite-3R

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beta: 122.17
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pub_title:
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = room temp, X-ray data

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pub_title:
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = room temp, neutron data

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pub_title:
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = 4.2 K, neutron data

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20.5 K and P = .4068 GPa
 Note: gamma phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 46 K
 Note: beta phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 46.5 K and P = .1484 GPa
 Note: beta phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 49 K and P = .2818 GPa
 Note: beta phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 49 K and P = .4180 GPa
 Note: beta phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20 K
 Note: alpha phase

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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20 K and P = .2690 GPa
 Note: alpha phase

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c: 5.433
alpha: 90
beta: 90
gamma: 90
cell_volume: 160.369
crystal_density: 0.580
atoms_sites: ["N"]
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pub_title:
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 19.6 K and P = .3835 GPa
 Note: alpha phase

qdat:
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formula: Cu Ga S2
compound: Synthetic sample
formula_title: <missing>
a: 5.34741
b: 5.34741
c: 10.47429
alpha: 90
beta: 90
gamma: 90
cell_volume: 299.510
crystal_density: 4.378
atoms_sites: ["Cu", "Ga", "S"]
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pub_title:
 Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
 Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites

qdat:
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formula: Cu In S2
compound: <missing>
formula_title: <missing>
a: 5.52279
b: 5.52279
c: 11.13295
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.568
crystal_density: 4.743
atoms_sites: ["Cu", "In", "S"]
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pub_title:
 Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
 Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites
 Note: Synthetic sample

qdat:
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formula: Ga
compound: Synthetic
formula_title: <missing>
a: 2.813
b: 2.813
c: 4.452
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.229
crystal_density: 6.573
atoms_sites: ["Ga"]
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pub_title:
 Crystal structures of Ga(II) and Ga(III)
 Sample: at P = 2.8 GPa, T = 298 K
 Note: structure known as Ga(III) phase

qdat:
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formula: Ga
compound: <missing>
formula_title: <missing>
a: 5.951
b: 5.951
c: 5.951
alpha: 90
beta: 90
gamma: 90
cell_volume: 210.751
crystal_density: 6.592
atoms_sites: ["Ga"]
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pub_title:
 Crystal structures of Ga(II) and Ga(III)
 Loclailty: synthetic
 Sample: at P = 2.6 GPa, T = 313 K
 Note: structure known as Ga(II) phase

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3133
b: 10.473
c: 4.374
alpha: 90
beta: 90
gamma: 90
cell_volume: 151.779
crystal_density: 2.711
atoms_sites: ["P"]
atoms_x: AAAAAA==
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Effect of pressure on bonding in black phosphorus
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3121
b: 10.408
c: 4.350
alpha: 90
beta: 90
gamma: 90
cell_volume: 149.955
crystal_density: 2.744
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = .41 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3105
b: 10.363
c: 4.335
alpha: 90
beta: 90
gamma: 90
cell_volume: 148.720
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = .71 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3109
b: 10.319
c: 4.317
alpha: 90
beta: 90
gamma: 90
cell_volume: 147.491
crystal_density: 2.790
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 1.02 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3109
b: 10.209
c: 4.302
alpha: 90
beta: 90
gamma: 90
cell_volume: 145.412
crystal_density: 2.830
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 1.27 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3116
b: 10.260
c: 4.289
alpha: 90
beta: 90
gamma: 90
cell_volume: 145.727
crystal_density: 2.824
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 1.51 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3114
b: 10.233
c: 4.278
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.962
crystal_density: 2.838
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 1.73 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3111
b: 10.215
c: 4.266
alpha: 90
beta: 90
gamma: 90
cell_volume: 144.288
crystal_density: 2.852
atoms_sites: ["P"]
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 1.93 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3114
b: 10.189
c: 4.254
alpha: 90
beta: 90
gamma: 90
cell_volume: 143.529
crystal_density: 2.867
atoms_sites: ["P"]
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 2.16 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3117
b: 10.158
c: 4.243
alpha: 90
beta: 90
gamma: 90
cell_volume: 142.736
crystal_density: 2.883
atoms_sites: ["P"]
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 2.43 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: P
compound: Synthetic
formula_title: <missing>
a: 3.3120
b: 10.140
c: 4.229
alpha: 90
beta: 90
gamma: 90
cell_volume: 142.025
crystal_density: 2.897
atoms_sites: ["P"]
atoms_x: AAAAAA==
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pub_title:
 Effect of pressure on bonding in black phosphorus
 Sample: at P = 2.66 GPa
 Note: pressures calculated from the measured unit cell volume

qdat:
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formula: La.43 Gd.462 Al11.003 Mg.635 O18.46
compound: <missing>
formula_title: Al11 Gd0.46 La0.43 Mg0.635 O18.46
a: 5.565
b: 5.565
c: 21.89
alpha: 90
beta: 90
gamma: 120
cell_volume: 587.093
crystal_density: 4.186
atoms_x: q7AoAPAOKQAAAAAAAAAAAFVYFABVWBQAVVgUAFVYFAAgyzIAIMsyAAAAAAAAAAAAoCsMAMBZCQBQ1x4AAAAAAKuwKAA=
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atoms_u_iso: 0
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atoms_aniso_u13: 0
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pub_title:
 The sites of Gd^3+^ in the luminescent matrix La1-xGdxMgAl11O19:
 single crystal structure determination and site-selective excitation of Gd^3+^
 _cod_database_code 1001462

atoms_sites:
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qdat:
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formula: C5
compound: hypothetical structure
formula_title: <missing>
a: 4.89
b: 4.89
c: 3.88
alpha: 90
beta: 90
gamma: 120
cell_volume: 80.349
crystal_density: 2.482
atoms_sites: ["C1", "C2"]
atoms_x: q7AoAICEHgA=
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atoms_z: ADsLAIDAFAA=
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pub_title:
 The carbon allotrope hexagonite and its potential
 synthesis from cold compression of carbon nanotubes

qdat:
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formula: As6 (Sb.96 Ti1.04) Cu5 Na O34 H18
compound: Black Vein, Laurani, Bolivia
pub_title: The crystal structure of braithwaiteite
formula_title: <missing>
a: 7.0308
b: 9.8823
c: 10.6754
alpha: 106.973
beta: 104.274
gamma: 93.839
cell_volume: 679.756
crystal_density: 3.711
atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u11:
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qdat:
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formula: Cu2 O6 N H3
compound: Kalabi, Jadotville, Katanga
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pub_title: Structure and disorder in schultenite, lead hydrogen arsenate
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pub_title:
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pub_title:
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pub_title:
 The crystal structure of a new form of the dipotassium
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pub_title:
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formula_title: Gd0.07 O3 Ta0.21 W0.79
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pub_title:
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pub_title:
 Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium
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pub_title: Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
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pub_title: Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
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pub_title: Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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formula: Ta2 Sr.25 O7
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
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formula: Sn Fe O6
compound: Synthetic
pub_title: Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)
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pub_title:
 The crystal structure of cubic In(OH)3 by X-Ray and neutron diffraction methods
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 The crystal structure of cubic In(OH)3 by X-Ray and neutron diffraction methods
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formula: Nd Os O4
compound: <missing>
pub_title: Crystal structure of Nd Os O4 a new Ba Zn F4 -type compound _cod_database_code 1004067
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formula: Zn Fe F5 (O2 H4)
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formula_title: ZnFeF5(H2O)2
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c: 6.594
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beta: 90
gamma: 90
cell_volume: 530.658
crystal_density: 3.157
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pub_title:
 Crystal structure of the inverse weberite ZnFeF5(H2O)2, magnetic and Mossbauer
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 Neutron diffraction studies of some hexagonal ferrites:
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pub_title:
 Perovskite-like intergrowth structure of the reduced cuprate Nd2CuO3.5:
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pub_title:
 Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual
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pub_title:
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 Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite
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 Crystal structure of kappa-alumina: an X-ray powder diffraction, TEM
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pub_title:
 Metastable structures of liquid-quenched and vapour-quenched antimony films
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 Metastable structures of liquid-quenched and vapour-quenched antimony films
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pub_title:
 Metastable structures of liquid-quenched and vapour-quenched antimony films
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 Metastable structures of liquid-quenched and vapour-quenched antimony films
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 Metastable structures of liquid-quenched and vapour-quenched antimony films
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 Metastable structures of liquid-quenched and vapour-quenched antimony films
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 High-temperature thermal expansion of six metallic elements measured
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 High-temperature thermal expansion of six metallic elements measured
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 High-temperature thermal expansion of six metallic elements measured
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cell_volume: 48.388
crystal_density: 8.723
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 777 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.650
b: 3.650
c: 3.650
alpha: 90
beta: 90
gamma: 90
cell_volume: 48.627
crystal_density: 8.680
atoms_sites: ["Cu"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 874 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.658
b: 3.658
c: 3.658
alpha: 90
beta: 90
gamma: 90
cell_volume: 48.948
crystal_density: 8.623
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 979 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.667
b: 3.667
c: 3.667
alpha: 90
beta: 90
gamma: 90
cell_volume: 49.310
crystal_density: 8.560
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1076 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.672
b: 3.672
c: 3.672
alpha: 90
beta: 90
gamma: 90
cell_volume: 49.512
crystal_density: 8.525
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1179 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.684
b: 3.684
c: 3.684
alpha: 90
beta: 90
gamma: 90
cell_volume: 49.999
crystal_density: 8.442
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1275 K

qdat:
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formula: Cu
compound: Synthetic
formula_title: <missing>
a: 3.692
b: 3.692
c: 3.692
alpha: 90
beta: 90
gamma: 90
cell_volume: 50.325
crystal_density: 8.387
atoms_sites: ["Cu"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1343 K

qdat:
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formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.538
b: 3.538
c: 3.538
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.287
crystal_density: 8.802
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 578 K

qdat:
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formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.544
b: 3.544
c: 3.544
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.512
crystal_density: 8.758
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 676 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAAAQAAAAAAAAABAAAQAAAAAAAAAAABAAAAAAAAEAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.552
b: 3.552
c: 3.552
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.815
crystal_density: 8.699
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 825 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAABAAAAAAAAAAEAABAAAAAAAAAAAAIAAAAAAAAIAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.563
b: 3.563
c: 3.563
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.232
crystal_density: 8.618
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1007 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAEAAABAAAAAAAAAAAAAAAEAAAAAAAAAAQAAEAAAAAAAAAAAAgAAAAAAACAAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.571
b: 3.571
c: 3.571
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.538
crystal_density: 8.561
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1123 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAIAAAEAAAAAAAAAAAAAAAIAAAAAAAAABAAAQAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAAAB==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.581
b: 3.581
c: 3.581
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.921
crystal_density: 8.489
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1256 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAAAgAAAAAAAAAEAABAAAAAAAAAAAAQAAAAAAAAgAAAAAAAAAAAAI==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.587
b: 3.587
c: 3.587
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.152
crystal_density: 8.447
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1345 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAABAAAAAAAAAAIAAEAAAAAAAAAAAAgAAAAAAACAAAAAAAAAAAAAQ==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.595
b: 3.595
c: 3.595
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.462
crystal_density: 8.390
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1433 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAACAAABAAAAAAAAAAAAAAAEAAAAAAAAAAgAAIAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAAABA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.603
b: 3.603
c: 3.603
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.773
crystal_density: 8.335
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1553 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAEAAACAAAAAAAAAAAAAAAIAAAAAAAAACAAAgAAAAAAAAAAAEAAAAAAAAgAAAAAAAAAAAAEA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.615
b: 3.615
c: 3.615
alpha: 90
beta: 90
gamma: 90
cell_volume: 47.242
crystal_density: 8.252
atoms_sites: ["Ni"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1676 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAQAAAIAAAAAAAAAAAAAABAAAAAAAAAAQAAEAAAAAAAAAAAAgAAAAAAAEAAAAAAAAAAAAAgA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.072
b: 4.072
c: 4.072
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.519
crystal_density: 19.377
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 293 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAEAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAIAAAgAAAAAAAAAAAABAAAAAAAAAQAAgAAAAAAAAAAgAAAAAACAAAAAAAAAAAEAAAAAAgAIAAAAAAACAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.091
b: 4.091
c: 4.091
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.468
crystal_density: 19.108
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 574 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAACAAAAAAAAAAAAAIAAAAAAAACAAEAAAAAAAAAAIAAAAAAAgAAAAAAAAAABAAAAAAEACAAAAAAABAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.097
b: 4.097
c: 4.097
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.770
crystal_density: 19.024
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 676 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAAEAAAAAAAAAAAAAQAAAAAAAAIAAIAAAAAAAAAAQAAAAAABAAAAAAAAAAAEAAAAAAQAIAAAAAAACAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.103
b: 4.103
c: 4.103
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.072
crystal_density: 18.941
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 777 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAIAAAAAAAAAAAAAgAAAAAAAAIAAQAAAAAAAAAAgAAAAAACAAAAAAAAAAAIAAAAAAgAQAAAAAAAEAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.110
b: 4.110
c: 4.110
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.427
crystal_density: 18.844
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 875 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAIAAAAAAAAAAAABAAAAAAAAAgAAgAAAAAAAAABAAAAAAAEAAAAAAAAAAAQAAAAABABAAAAAAAAQAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.117
b: 4.117
c: 4.117
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.782
crystal_density: 18.748
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 971 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAQAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAACAAAAAAAQAAAAAAAAAABAAAAAAEACAAAAAAABAAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.125
b: 4.125
c: 4.125
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.189
crystal_density: 18.639
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1075 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAAAgAAAAAAAAAAAAEAAAAAAAACAAEAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAQAIAAAAAAAEAAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.134
b: 4.134
c: 4.134
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.650
crystal_density: 18.518
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1179 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAIAAIAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABAAgAAAAAAAQAAAAA==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.141
b: 4.141
c: 4.141
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.009
crystal_density: 18.424
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1280 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAABAAACAAAAAAAAAAAAAQAAAAAAAAQAAQAAAAAAAAABAAAAAAAIAAAAAAAAAAAQAAAAACACAAAAAAABAAAAAB==


formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.145
b: 4.145
c: 4.145
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.215
crystal_density: 18.371
atoms_sites: ["Au"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1324 K

qdat:
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formula: Ag
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pub_title:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 576 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 671 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 774 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 975 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 1076 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 1174 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 1228 K

qdat:
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formula: Ba2 Ce Pt O6
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formula_title: Ba2 Ce O6 Pt
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pub_title:
 Chemical and structural characterization of a new barium ceroplatinate:
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pub_title:
 Lattice parameters of beta titanium at room temperature
 Sample: at T = 298 K, known as the beta phase

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formula: (Sr3.842 Ce.158) Zr Ti3.7 Al.1 Fe.2 Si4 O22
compound: Itoigawa, Niigata Prefecture, Japan
pub_title: The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 Sample: P2_1/a refinement
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formula: (K.95 Ba.05) Na2 Li (Mn1.569 Mg.431) (V1.66 Ti.34) Si8 O24
compound: metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan
pub_title: Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate Prefecture, Japan
formula_title: <missing>
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formula: Si O2
compound: Synthetic
formula_title: <missing>
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alpha: 90
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gamma: 90
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pub_title:
 X-ray, DTA and Raman studies of monoclinic tridymite and its higher
 temperature orthorhombic modification with varying temperature.
 Note: T = 298 K

atoms_sites:
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formula: Si O2
compound: Synthetic
formula_title: <missing>
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alpha: 90
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pub_title:
 X-ray, DTA and Raman studies of monoclinic tridymite and its higher
 temperature orthorhombic modification with varying temperature.
 Note: T = 373 K

atoms_sites:
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formula: Si O2
compound: Synthetic
formula_title: <missing>
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pub_title:
 X-ray, DTA and Raman studies of monoclinic tridymite and its higher
 temperature orthorhombic modification with varying temperature.
 Note: T = 413 K

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formula: Ca B O3 H
compound: Fuka, Okayama, Japan
pub_title: Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement
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formula: (Ca1.1 Sr.9) Al1.92 Fe.88 Mn.2 Si3 O13 H
compound: Ananai mine, Kochi Prefecture, Japan
formula_title: <missing>
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pub_title:
 Epidote-(Sr), CaSrAl2Fe(Si2O7)(SiO4)(OH), a new mineral from the Ananai mine,
 Kochi Prefecture, Japan

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formula: K.54 Na.47 Mg1.393 Al2.729 Fe2.65 Mn.03 Ti.226 Cr.052 Ca1.95 Si5.92 O23.94 F.06
compound: Kabutoichiba, Mie Prefecture, central Japan
formula_title: <missing>
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pub_title:
 Potassic-ferropargasite, a new member of the amphibole group,
 from Kabutoichiba, Mie Prefecture, central Japan

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formula: Ca B (O3 H)
compound: Fuka, Okayama Prefecture, Japan
pub_title: Crystal structure of parasibirskite (CaHBO3) and polymorphism in sibirskite and parasibirskite
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formula: U6 O27 H22
compound: Shinkolobwe mine, Shaba, southern Congo
formula_title: <missing>
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b: 11.473
c: 30.39
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beta: 90
gamma: 90
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pub_title:
 The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible
 phase for Pu4+ incorporation during the oxidation of spent nuclear fuel

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formula: Cs
compound: Synthetic
pub_title: On the crystal structures of Cs II and Ga II Sample: at room T Note: known as cesium-II
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formula: Ga
compound: Synthetic
formula_title: <missing>
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b: 2.808
c: 4.458
alpha: 90
beta: 90
gamma: 90
cell_volume: 35.151
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pub_title:
 On the crystal structures of Cs II and Ga II
 Sample: at P > .002 GPa & room T
 Note: known as gallium-II

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compound: Synthetic
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formula: Sr
compound: Synthetic
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formula: Ba
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formula: Ca
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compound: Synthetic
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pub_title: Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 _cod_database_code 1001799
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formula: Mo Cd O4
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pub_title: Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 _cod_database_code 1001800
formula_title: Cd Mo O4
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pub_title: Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 _cod_database_code 1001801
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pub_title: Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 _cod_database_code 1001802
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formula: Na.09 K.023 Mg.023 Ca.592 (Si5.835 Al2.165) O20.64 H9.28
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formula_title: <missing>
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pub_title:
 Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
 the natural counterpart of synthetic zeolite beta
 Sample: large crystal, monoclinic

atoms_sites:
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formula: Na.08 Mg.08 K.11 Ca.89 (Si13.26 Al2.74) O40.34 H16.68
compound: Mt. Adamson, Northern Victoria Land, Antarctica
formula_title: <missing>
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pub_title:
 Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
 the natural counterpart of synthetic zeolite beta
 Sample: small crystal, tetragonal
 Note: Mg position adjusted to match reported bond lengths

atoms_sites:
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formula: O17 D34
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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 7 K, host lattice
 Note: y(D7) corrected

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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 75 K, host lattice

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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Sample: T = 140 K, host lattice

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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Sample: T = 205 K, host lattice

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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Sample: T = 265 K, host lattice

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formula: C.333 H.667 O.083
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 5002.844
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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: cell T = 7 K, positions T = 5 K, guest molecule
 Note: occupancies of C11 and H14 switched to reproduce reported formula

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formula: Ca F2
compound: <missing>
formula_title: <missing>
a: 5.462
b: 5.462
c: 5.462
alpha: 90
beta: 90
gamma: 90
cell_volume: 162.950
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atoms_sites: ["Ca", "F"]
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pub_title:
 Defect structure of calcium fluoride containing excess anions: I. Bragg
 scattering
 _cod_database_code 1000043

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formula: K N O3
compound: Synthetic
formula_title: <missing>
a: 5.4142
b: 9.1659
c: 6.4309
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.140
crystal_density: 2.104
atoms_sites: ["K", "N", "O1", "O2"]
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pub_title:
 A neutron diffraction determination of the crystal structure of
 alpha-phase potassium nitrate at 25 C and 100 C
 Sample: T = 25 C

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formula: K N O3
compound: Synthetic
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alpha: 90
beta: 90
gamma: 90
cell_volume: 324.627
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pub_title:
 A neutron diffraction determination of the crystal structure of
 alpha-phase potassium nitrate at 25 C and 100 C
 Sample: T = 100 C

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formula: K H2 P O4
compound: <missing>
formula_title: <missing>
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b: 7.4264
c: 6.931
alpha: 90
beta: 90
gamma: 90
cell_volume: 382.255
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pub_title:
 The crystal structure of tetragonal KH2PO4
 and KD2PO4 as a function of temperature
 Sample: T = 127 K

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pub_title:
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pub_title:
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pub_title:
 The crystal structure of tetragonal KH2PO4
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 Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray
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 Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray
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 Structural phase transitions in ferroelastic RbAlF4: I. DSC, X-ray powder diffraction
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pub_title:
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pub_title:
 Ordered magnetic frustration: IV. The two magnetic structures of the
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 A re-investigation of the room-temperature phase of KAlF4: evidence
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pub_title:
 A re-investigation of the room-temperature phase of KAlF4: evidence
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 A re-investigation of the room-temperature phase of KAlF4: evidence
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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pub_title:
 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 Isothermal compression and phase transition in beryllium to 28.3 GPa
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 High-pressure crystal chemistry of scheelite-type tungstates and molybdates
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formula: Tl Fe S2
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pub_title: Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium I. Chain structures
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formula: Bi Pb (Ba La) Cu O6
compound: <missing>
pub_title: Substitution of lead for bismuth in the 2201-type oxide Bi2BaLaCuO6+d _cod_database_code 1001550
formula_title: Ba Bi Cu La O6 Pb
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formula: Tl (Ba Sr) Nd Cu2 O7
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formula_title: Ba Cu2 Nd O7 Sr Tl
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pub_title:
 Influence of the size of alkaline earth cations on the structural
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formula_title: Cu2 Nd O7 Sr2 Tl
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pub_title:
 Influence of the size of alkaline earth cations on the structural
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pub_title:
 Influence of the size of alkaline earth cations on the structural
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pub_title:
 Influence of the size of alkaline earth cations on the structural
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formula_title: Fe2 O8 Sr3 Tl0.95
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pub_title:
 New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8
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pub_title:
 New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8
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 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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pub_title:
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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pub_title:
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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 Sample: neutron powder diffraction refinement of raw material

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pub_title:
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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 Sample: neutron powder diffraction of melt and quench product

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pub_title:
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pub_title:
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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pub_title:
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 Neutron diffraction study on structural and magnetic properties of La2NiO4
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 Neutron diffraction study on structural and magnetic properties of La2NiO4
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pub_title:
 Neutron diffraction study on structural and magnetic properties of La2NiO4
 _cod_database_code 1006045

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pub_title: A single-crystal neutron diffraction study of N H4 Mn F3 _cod_database_code 1006081
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pub_title: A single-crystal neutron diffraction study of N H4 Mn F3 _cod_database_code 1006082
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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
 antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
 _cod_database_code 1006098

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
 antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
 _cod_database_code 1006099

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006100

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006101

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006102

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006104

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006105

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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
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 _cod_database_code 1006106

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 X-ray investigation of the incommensurate modulated structure of
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pub_title:
 The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa
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pub_title:
 The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa
 Sample: P = 8.2 GPa

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formula: Al5 O8 H
compound: Theoretical structure
pub_title: Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,
formula_title: <missing>
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formula: Al5 O8 H
compound: Theoretical structure
pub_title: Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,
formula_title: <missing>
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formula: Al Cl4 Na
compound: <missing>
formula_title: Al Cl4 Na
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b: 9.886
c: 6.167
alpha: 90
beta: 90
gamma: 90
cell_volume: 629.301
crystal_density: 2.024
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pub_title:
 Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des
 Spectres de Diffusion Raman de la Famille des M Al Cl4
 (M= Li, Na, K, Rb, Cs, NO, NH4) a l'Etat Solide
 _cod_database_code 1004059

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formula: Al Cl4 Na
compound: <missing>
formula_title: Al Cl4 Na
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pub_title:
 Etude structurale du tetrachloroaluminate de sodium. Comparaison des
 spectres de diffusion raman de la famille des M Al Cl4
 (M=Li, Na, K, Rb, Cs, No, Nh4,) a l'etat solide
 _cod_database_code 1004069

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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structure of Ca2Na2(CO3)3 (shortite)
 Note: Y- and z-coordinates of Ca adjusted to match reported bond lengths

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formula: Ba Ca C2 O6
compound: Cumberland, England
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formula_title: <missing>
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formula: F
compound: Synthetic
formula_title: <missing>
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b: 3.28
c: 7.28
alpha: 90
beta: 102.17
gamma: 90
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pub_title:
 The crystal structure of alpha-fluorine
 Note: alpha phase
 Note: T = 23 K
 Sample: stable below 45.6 K

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formula: (Ta2.94 Sc.06) O7.5
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pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001074
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formula: Rb Ta Ge3 O9
compound: <missing>
pub_title: Sur de nouveaux qermanates et silicates de type benitoite _cod_database_code 1001075
formula_title: Ge3 O9 Rb Ta
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formula: Rb Nb Ge3 O9
compound: <missing>
pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001076
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pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001077
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compound: <missing>
pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001078
formula_title: Ba Ge3 O9 Sn
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compound: <missing>
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pub_title:
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 525 K

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pub_title:
 Crystallographic and magnetic properties of the Cd(OH)2
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pub_title:
 Crystallographic and magnetic properties of the Cd(OH)2
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 Evolution structurale de nouvelles Perovskites lacunaires Yx(Ta3xW1-3x)O3
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pub_title:
 Evolution structurale de nouvelles Perovskites lacunaires Yx(Ta3xW1-3x)O3
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 Evolution structural de nouveaux germanates et silicates de type
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pub_title:
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formula_title: Ba3 Nb4 O21 Ti4
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pub_title:
 Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21
 a structure en cages
 _cod_database_code 1001029

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pub_title: Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
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formula: K.57 Bi1.185 O3.4
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formula_title: Bi2.37 H1.9 K1.14 O6.8
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pub_title:
 Etude structurale d'un pyrochlore non stoechiometrique et desordonne
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 _cod_database_code 1004037

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formula_title: Nb6 O18 Rb2 Ti
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pub_title:
 Une nouvelle famille structurale: les titanoniobates et
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 _cod_database_code 1001013

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formula_title: O18 Rb2 Ta6 Ti
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pub_title:
 Une nouvelle famille structurale: les titanoniobates et
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 _cod_database_code 1001014

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pub_title:
 Une nouvelle famille structurale: les titanoniobates et
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 _cod_database_code 1001015

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pub_title:
 Une nouvelle famille structurale: les titanoniobates et
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pub_title:
 Crystallographic studies of the role of Mg as a stabilizing impurity in
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 Sample: x = 0.11 Mg
 Note: changed sign of O3(y) to match bond distances

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pub_title:
 Crystallographic studies of the role of Mg as a stabilizing impurity in
 beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2
 Sample: x = 0.29 Mg

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pub_title:
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pub_title:
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pub_title:
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