# cif

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==
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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 = 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==
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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 = 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==
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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 = 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==
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atoms_aniso_u22: 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 = 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
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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>"
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atoms_aniso_u22: 0
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atoms_aniso_u13: 0
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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
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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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
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qdat:
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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
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qdat:
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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
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atoms_occupancy: 0
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qdat:
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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
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qdat:
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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
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qdat:
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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
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qdat:
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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
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qdat:
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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
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qdat:
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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
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qdat:
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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=
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atoms_aniso_u22: 0
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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>
a: 4.7517
b: 4.7517
c: 12.965
alpha: 90
beta: 90
gamma: 120
cell_volume: 253.514
crystal_density: 4.007
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
atoms_y: AAAAAAAAAAA=
atoms_z: AHwVAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: qBsAAJgrAAA=
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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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAQAAgAAAEAIAAIAAAAAAIAAAAEABAMAAAACAIAEAAAQACgABQAEIQYAEAIAAKAAgAQBCAAAQQAIECAggEAIAEAIAIAgQQAJCAYEADAmAAIQIAIDACAAiAgggxAAQBA==


formula: Al2 O3
compound: <missing>
formula_title: <missing>
a: 4.7418
b: 4.7418
c: 12.921
alpha: 90
beta: 90
gamma: 120
cell_volume: 251.601
crystal_density: 4.038
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
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atoms_z: AHwVAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: qBsAAJgrAAA=
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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 = 42 kbar

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAQAAQAAACAEAAEAAAAAAIAAAACAAgKAAAABAEACAAAEAAoAAYACCIMABAEAAFAAIAEAggAAEMAEBBAIIBACABAEAGAIEEABQgFBABQQwAEICACAoBgAIwEEQMgAEAQ==


formula: Al2 O3
compound: <missing>
formula_title: <missing>
a: 4.7351
b: 4.7351
c: 12.901
alpha: 90
beta: 90
gamma: 120
cell_volume: 250.503
crystal_density: 4.055
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
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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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAIAAQAAACAEAAEAAAAAAEAAAABAAgFAAAAAgCABAAACAAYAAMABCEGABACAACgAEACAQQAACGACAggEEAgCAAgBADAEBCABIgBggAYEQABCBABAMAYACQCCEFIACAI==


formula: Al2 O3
compound: <missing>
formula_title: <missing>
a: 4.7242
b: 4.7242
c: 12.881
alpha: 90
beta: 90
gamma: 120
cell_volume: 248.964
crystal_density: 4.080
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
atoms_y: AAAAAAAAAAA=
atoms_z: AHwVAEBCDwA=
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atoms_u_iso: qBsAAJgrAAA=
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atoms_aniso_u23: 0
pub_title:
 High-pressure single-crystal structure determinations for ruby up to 90 kbar
 using an automatic diffractometer
 P = 74 kbar

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAIAAIAAABACAACAAAAAACAAAAAgAQCgAAAAQBAAgAACAAUAAGAAgiDAAQBAABQACABAEIAABBAAgQICBAIAgAIAgAwCAggASEAoIAKCGAARAQAIFAEABGAgRAyAAgB==


formula: Al2 O3
compound: <missing>
formula_title: <missing>
a: 4.7212
b: 4.7212
c: 12.872
alpha: 90
beta: 90
gamma: 120
cell_volume: 248.474
crystal_density: 4.088
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
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atoms_z: AHwVAEBCDwA=
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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>
a: 4.7154
b: 4.7154
c: 12.851
alpha: 90
beta: 90
gamma: 120
cell_volume: 247.460
crystal_density: 4.105
atoms_sites: ["Al", "O"]
atoms_x: AAAAAECtEgA=
atoms_y: AAAAAAAAAAA=
atoms_z: AHwVAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: qBsAAJgrAAA=
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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 = 90 kbar

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAEAAIAAABACAABAAAAAABAAAAAgAIBgAAAAIAgAQAAAgAKAADAAQRBgAIAgAAoABAAgCCAAAgwAQIEAggEAQAEAIAUAgIIAIiAMEACgjAAEQEAEAgBAARAIIQUgAEA==


formula: Al2 O3
compound: <missing>
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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
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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
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pub_title: Crystal structure and compression of ruby to 46 kbar P = 28 kbar
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formula: Al2 O3
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pub_title: Crystal structure and compression of ruby to 46 kbar P = 35 kbar
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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
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formula: Si O2
compound: Synthetic
formula_title: <missing>
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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

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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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formula: Si O2
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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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formula: Ni
compound: Synthetic
formula_title: <missing>
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beta: 90
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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
compound: Synthetic
formula_title: <missing>
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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
compound: Synthetic
formula_title: <missing>
a: 4.0704
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alpha: 90
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of 1 sample

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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
formula_title: <missing>
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formula: Mg
compound: Synthetic
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a: 3.2030
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beta: 90
gamma: 120
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of four samples

qdat:
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formula: Zn
compound: Synthetic
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a: 2.6594
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of three samples

qdat:
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formula: Sb
compound: Synthetic
pub_title: Precision determination of lattice constants Sample: at T = 25C Note: sample 1
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formula: Bi
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Precision determination of lattice constants
 Sample: at T = 25 C
 Note: lattice parameter is average of three samples

qdat:
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formula: Cu Fe2 O4
compound: Synthetic
pub_title: Physical properties and cation arrangement of oxides with spinel structures
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formula: Mg Cr2 O4
compound: Synthetic
pub_title: Physical properties and cation arrangement of oxides with spinel structures
formula_title: <missing>
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formula: Cd Cr2 O4
compound: <missing>
pub_title: Physical properties and cation arrangement of oxides with spinel structures
formula_title: CdCr2O4
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c: 8.567
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crystal_density: 5.924
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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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formula: Fe Cl2 O2 H4
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pub_title: Crystal structures of manganese(II) and iron(II) chloride dihydrate
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formula: Mn Cl2 O2 H4
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pub_title: Crystal structures of manganese(II) and iron(II) chloride dihydrate
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formula: Cu Cl3 N C2
compound: <missing>
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formula_title: (CH3)2NH2CuCl3
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formula: Co Cl2 O2 H4
compound: <missing>
formula_title: CoCl2(H2O)2
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b: 8.4978
c: 3.5639
alpha: 90
beta: 97.60
gamma: 90
cell_volume: 216.346
crystal_density: 2.546
atoms_sites: ["Co", "Cl", "O", "H"]
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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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compound: <missing>
formula_title: CoCl2(H2O)2
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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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formula: O2 Pt F6
compound: <missing>
pub_title: Crystal structure of O2PtF6: A neutron-diffraction study
formula_title: O2PtF6
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formula: Si N2 F6 H8
compound: Synthetic
formula_title: <missing>
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beta: 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
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pub_title: High-pressure synthesis and crystal structure of alpha-LiAlO2
formula_title: LiAlO2
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formula: Li B O2
compound: <missing>
formula_title: LiBO2
a: 4.1961
b: 4.1961
c: 6.5112
alpha: 90
beta: 90
gamma: 90
cell_volume: 114.644
crystal_density: 2.882
atoms_sites: ["Li", "B", "O"]
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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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formula: N2 Si F6
compound: Synthetic
pub_title: On the structure of trigonal ammonium fluorosilicate
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formula: C
compound: <missing>
pub_title: Hexagonal diamond-a new form of carbon
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formula: F
compound: Synthetic
formula_title: <missing>
a: 5.50
b: 3.28
c: 10.01
alpha: 90
beta: 134.66
gamma: 90
cell_volume: 128.445
crystal_density: 1.965
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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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formula: Co O2 H
compound: <missing>
formula_title: <missing>
a: 2.851
b: 2.851
c: 13.150
alpha: 90
beta: 90
gamma: 120
cell_volume: 92.566
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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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formula: Co O2 D
compound: <missing>
formula_title: <missing>
a: 2.854
b: 2.854
c: 13.354
alpha: 90
beta: 90
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cell_volume: 94.200
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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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formula: Ni Cl2 O6 H12
compound: Synthetic
formula_title: <missing>
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b: 7.05
c: 6.57
alpha: 90
beta: 122.17
gamma: 90
cell_volume: 401.091
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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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formula: Ni Cl2 O6 H12
compound: Synthetic
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b: 7.04
c: 6.58
alpha: 90
beta: 122.23
gamma: 90
cell_volume: 401.259
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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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formula: Ni Cl2 O6 H12
compound: Synthetic
formula_title: <missing>
a: 10.20
b: 7.05
c: 6.50
alpha: 90
beta: 122.53
gamma: 90
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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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formula: N
compound: Synthetic
formula_title: <missing>
a: 3.957
b: 3.957
c: 5.109
alpha: 90
beta: 90
gamma: 90
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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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formula: N
compound: Synthetic
formula_title: <missing>
a: 4.050
b: 4.050
c: 6.604
alpha: 90
beta: 90
gamma: 120
cell_volume: 93.810
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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

qdat:
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formula: N
compound: Synthetic
formula_title: <missing>
a: 3.967
b: 3.967
c: 6.496
alpha: 90
beta: 90
gamma: 120
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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

qdat:
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formula: N
compound: Synthetic
formula_title: <missing>
a: 3.924
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alpha: 90
beta: 90
gamma: 120
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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

qdat:
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formula: N
compound: Synthetic
formula_title: <missing>
a: 3.861
b: 3.861
c: 6.265
alpha: 90
beta: 90
gamma: 120
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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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formula: N
compound: Synthetic
formula_title: <missing>
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gamma: 90
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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

qdat:
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formula: N
compound: Synthetic
formula_title: <missing>
a: 5.495
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c: 5.495
alpha: 90
beta: 90
gamma: 90
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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

qdat:
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formula: N
compound: Synthetic
formula_title: <missing>
a: 5.433
b: 5.433
c: 5.433
alpha: 90
beta: 90
gamma: 90
cell_volume: 160.369
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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
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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"]
atoms_x: YOMWAA==
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atoms_aniso_u23: 0
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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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
atoms_sites: ["P"]
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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
crystal_density: 2.767
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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
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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
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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
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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
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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
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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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atoms_aniso_u13: 0
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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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atoms_aniso_u12: 0
atoms_aniso_u13: 0
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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: 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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pub_title:
 The carbon allotrope hexagonite and its potential
 synthesis from cold compression of carbon nanotubes

qdat:
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formula: Pb H As O4
compound: <missing>
pub_title: Structure and disorder in schultenite, lead hydrogen arsenate
formula_title: <missing>
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pub_title:
 Sur de nouvelles phases non stoechiometriques de type Perovskite
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 Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium
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 Perovskite-like intergrowth structure of the reduced cuprate Nd2CuO3.5:
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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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pub_title:
 Metastable structures of liquid-quenched and vapour-quenched antimony films
 Note: liquid-quenched specimen

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pub_title:
 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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 Note: vapour-quenched specimen

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pub_title:
 Metastable structures of liquid-quenched and vapour-quenched antimony films
 Note: vapour-quenched specimen
 Note: HCP structure resulted from electron beam heating of FCC structure

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 293 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 577 K

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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 = 680 K

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formula: Cu
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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 777 K

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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 = 874 K

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pub_title:
 High-temperature thermal expansion of six metallic elements measured
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 Sample: at T = 979 K

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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 = 1076 K

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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 = 1179 K

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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 = 1275 K

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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 = 1343 K

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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 = 578 K

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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 = 676 K

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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 = 825 K

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formula: Ni
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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 = 1007 K

qdat:
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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:
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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
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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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1256 K

qdat:
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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
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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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1345 K

qdat:
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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
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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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 1433 K

qdat:
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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
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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:
 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
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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:
 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
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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:
 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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAEAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAABAAAEAAAAAAAAAAAAAgAAAAAAAAQAAgAAAAAAAAABAAAAAAAQAAAAAAAAAAAgAAAAAEAEAAAAAAABAAAAAC==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.086
b: 4.086
c: 4.086
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.217
crystal_density: 10.503
atoms_sites: ["Ag"]
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
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAgAABAAAAAAAAAAAAAEAAAAAAAACAACAAAAAAAAAACAAAAAAAQAAAAAAAAAAAgAAAAAEABAAAAAAAAQAAA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.109
b: 4.109
c: 4.109
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.376
crystal_density: 10.327
atoms_sites: ["Ag"]
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:
 High-temperature thermal expansion of six metallic elements measured
 by dilatation method and X-ray diffraction
 Sample: at T = 576 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAIAAAAAAAAAAAAAgAAAAAAAAgAAgAAAAAAAAABAAAAAAAEAAAAAAAAAAAQAAAAABABAAAAAAAAQAAAA==


formula: Ag
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: 10.267
atoms_sites: ["Ag"]
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 = 671 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAQAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAACAAAAAAAQAAAAAAAAAABAAAAAAEACAAAAAAABAAAAA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.126
b: 4.126
c: 4.126
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.241
crystal_density: 10.200
atoms_sites: ["Ag"]
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 = 774 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAACAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAACAAEAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAQAIAAAAAAAEAAAAA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.135
b: 4.135
c: 4.135
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.701
crystal_density: 10.134
atoms_sites: ["Ag"]
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAIAAIAAAAAAAAAAQAAAAAAEAAAAAAAAAAAQAAAAABAAgAAAAAAAQAAAAA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.144
b: 4.144
c: 4.144
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.164
crystal_density: 10.068
atoms_sites: ["Ag"]
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 = 975 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAEAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAABAAAEAAAAAAAAAAAAAQAAAAAAAAQAAgAAAAAAAAABAAAAAAAIAAAAAAAAAAAgAAAAAEAEAAAAAAABAAAAAB==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.155
b: 4.155
c: 4.155
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.732
crystal_density: 9.988
atoms_sites: ["Ag"]
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAIAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAACAAAIAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAAEAAAAAAAgAAAAAAAAAAEAAAAAAQAQAAAAAAAIAAAAAQ==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.166
b: 4.166
c: 4.166
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.303
crystal_density: 9.909
atoms_sites: ["Ag"]
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 = 1174 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAIAAAgAAAAAAAAAAAAEAAAAAAAAEAAEAAAAAAAAAAQAAAAAACAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAABA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.172
b: 4.172
c: 4.172
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.616
crystal_density: 9.867
atoms_sites: ["Ag"]
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 = 1228 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAgAAAAAAAAAAAAIAAAAAAAAEAAQAAAAAAAAAAgAAAAAAIAAAAAAAAAAAgAAAAAEACAAAAAAACAAAAAEA==


formula: Ba2 Ce Pt O6
compound: <missing>
formula_title: Ba2 Ce O6 Pt
a: 8.4088
b: 8.4088
c: 8.4088
alpha: 90
beta: 90
gamma: 90
cell_volume: 594.569
crystal_density: 7.885
atoms_sites: ["Ba1", "Ce1", "Pt1", "O1"]
atoms_x: QEIPAICEHgAAAAAAACMPAA==
atoms_y: QEIPAICEHgAAAAAAAAAAAA==
atoms_z: QEIPAICEHgAAAAAAAAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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:
 Chemical and structural characterization of a new barium ceroplatinate:
 Ba2CePtO6 a double perovskite mixed oxide
 _cod_database_code 1001469

qdat:
AAAAAAAAAAAAAAAAAAAAAEAABAAAAAAAAAAQAAAAAIAQAAAAABAAAAICAAAAAgAACAAAAAEAACCAAABAACCAAAIAAhAAAQACAAACAAiAACABCAAIAEQABABAAAgBEAAgBEAAACQAEAQABAEQAQBIAEAgAEAgAAAkAEBIAA==


formula: Ti
compound: Synthetic
formula_title: <missing>
a: 3.282
b: 3.282
c: 3.282
alpha: 90
beta: 90
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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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pub_title:
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Sample: T = 7 K, host lattice
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 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
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 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 265 K, host lattice

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compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 5002.844
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atoms_sites: ["C11", "C12", "H13", "H14", "H15", "H16", "O10"]
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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
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formula_title: <missing>
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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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beta: 90
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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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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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pub_title:
 The crystal structure of tetragonal KH2PO4
 and KD2PO4 as a function of temperature
 Sample: T = 127 K

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formula: K H2 P O4
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pub_title:
 The crystal structure of tetragonal KH2PO4
 and KD2PO4 as a function of temperature
 Sample: T = 295 K

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formula: K D2 P O4
compound: <missing>
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beta: 90
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cell_volume: 387.064
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pub_title:
 The crystal structure of tetragonal KH2PO4
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 Sample: T = 227 K

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formula: K D2 P O4
compound: <missing>
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a: 7.4794
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pub_title:
 The crystal structure of tetragonal KH2PO4
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 Sample: T = 263 K

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formula: Rb Al F4
compound: <missing>
formula_title: Al F4 Rb
a: 3.6586
b: 3.6586
c: 6.3061
alpha: 90
beta: 90
gamma: 90
cell_volume: 84.409
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pub_title:
 Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray
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 _cod_database_code 1000453

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formula: Rb Al F4
compound: <missing>
formula_title: Al F4 Rb
a: 5.1375
b: 5.1375
c: 6.2912
alpha: 90
beta: 90
gamma: 90
cell_volume: 166.049
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pub_title:
 Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray
 powder diffraction investigations and neutron powder profile refinement
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 _cod_database_code 1000454

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formula: Rb Al F4
compound: <missing>
formula_title: Al F4 Rb
a: 5.1227
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c: 6.2815
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.839
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pub_title:
 Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray
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 _cod_database_code 1000455

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formula: Rb Al F4
compound: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 327.069
crystal_density: 3.827
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pub_title:
 Structural phase transitions in ferroelastic RbAlF4: I. DSC, X-ray powder diffraction
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 _cod_database_code 1000456

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formula: Rb Al F4
compound: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structural phase transitions in ferroelastic RbAlF4: I. DSC, X-ray powder diffraction
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 _cod_database_code 1000457

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formula: Fe2 F5 O2 H4
compound: <missing>
formula_title: F5 Fe2 H4 O2
a: 7.472
b: 10.928
c: 6.606
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.406
crystal_density: 2.989
atoms_sites: ["Fe1", "Fe2", "F1", "F2", "O1", "H1"]
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pub_title:
 Ordered magnetic frustration: IV. The two magnetic structures of the
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formula: Fe2 F5 O2 H4
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formula_title: F5 Fe2 H4 O2
a: 7.469
b: 10.927
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Ordered magnetic frustration: IV. The two magnetic structures of the
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 the frustration character
 _cod_database_code 1000405

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formula: Fe2 F5 O2 H4
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formula_title: F5 Fe2 H4 O2
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pub_title:
 Ordered magnetic frustration: IV. The two magnetic structures of the
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formula: K Al F4
compound: <missing>
formula_title: KAlF4
a: 5.0424
b: 5.0424
c: 6.1564
alpha: 90
beta: 90
gamma: 90
cell_volume: 156.531
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pub_title:
 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: Substitution of lead for bismuth in the 2201-type oxide Bi2BaLaCuO6+d _cod_database_code 1001550
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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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pub_title:
 Influence of the size of alkaline earth cations on the structural
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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
 _cod_database_code 1001673

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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: contains natural Li

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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:
 Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1)
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 Note: y(O1) changed to match reported bond lengths

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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

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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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 Note: occupancies invented to match formula

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formula: (Ba.99 Eu.01) (Si2 Al2) O8
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pub_title: Structural and spectroscopic characterization of the quenched hexacelsian
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formula: Mn Si
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pub_title: Magnetic structures of cubic FeGe studied by small-angle neutron scattering
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formula: Bi2 Cu O4
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pub_title: Crystal and magnetic structures of Bi2CuO4 Sample: T = 75 K
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formula: Bi2 Cu O4
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pub_title: Crystal and magnetic structures of Bi2CuO4 Sample: T = 290 K
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 Magnetic structures of the three-dimensional Heisenberg
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 Magnetic structures of the three-dimensional Heisenberg
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 Magnetic structures of the three-dimensional Heisenberg
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 Magnetic structures of the three-dimensional Heisenberg
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 Magnetic structures of the three-dimensional Heisenberg
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 Magnetic structures of the three-dimensional Heisenberg
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atoms_sites: ["Rb1", "Fe1", "Cl1", "Cl2", "Cl3", "Cl4", "O1", "D1"]
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pub_title:
 Magnetic structures of the three-dimensional Heisenberg
 antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
 _cod_database_code 1006106

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compound: <missing>
formula_title: Bi2 Fe2 O11 Sr2.591
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pub_title:
 X-ray investigation of the incommensurate modulated structure of
 Bi2+xSr3-xFe2O9+d
 _cod_database_code 1001709

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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,
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formula: Al Cl4 Na
compound: <missing>
formula_title: Al Cl4 Na
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alpha: 90
beta: 90
gamma: 90
cell_volume: 629.301
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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
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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
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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
pub_title: The crystal structure of BaCa(CO3)2 (barytocalcite)
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formula: F
compound: Synthetic
formula_title: <missing>
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alpha: 90
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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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pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001074
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formula: Rb Ta Ge3 O9
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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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formula: Tl Ta Ge3 O9
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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
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pub_title: Sur de nouveaux germanates et silicates de type benitoite _cod_database_code 1001773
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c: 5.908
alpha: 90
beta: 90
gamma: 90
cell_volume: 376.909
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pub_title:
 The crystal structure of ammonium tetrafluoroborate IV at 140 K
 Sample: T = 140 K
 Note: x(H2), y(H2) adjusted to match reported bond lengths

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formula: Na Cr S2
compound: Synthetic
formula_title: <missing>
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b: 3.5561
c: 19.3650
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 4.2 K

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formula: Na Cr S2
compound: Synthetic
formula_title: <missing>
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 300 K

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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 4.2 K

qdat:
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formula: Na Cr Se2
compound: Synthetic
formula_title: NaCrSe2
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 300 K

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formula_title: CuCrS2
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 4.2 K

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formula_title: CuCrS2
a: 3.4812
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cell_volume: 196.228
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 300 K

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formula: Ag Cr Se2
compound: Synthetic
formula_title: AgCrSe2
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formula: Ag Cr Se2
compound: Synthetic
formula_title: AgCrSe2
a: 3.6821
b: 3.6821
c: 21.2310
alpha: 90
beta: 90
gamma: 120
cell_volume: 249.283
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pub_title:
 Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides
 Sample: T = 525 K

qdat:
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formula: Fe Ti3 S6
compound: Synthetic
formula_title: FeTi3S6
a: 5.937
b: 5.937
c: 11.466
alpha: 90
beta: 90
gamma: 120
cell_volume: 350.007
crystal_density: 3.718
atoms_sites: ["Fe1", "Ti1", "Ti2", "S"]
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pub_title:
 Crystallographic and magnetic properties of the Cd(OH)2
 layer structure compound TiS2 containing extra iron

qdat:
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formula: Fe Ti2 S4
compound: Synthetic
formula_title: <missing>
a: 5.953
b: 3.437
c: 11.948
alpha: 90
beta: 90.10
gamma: 90
cell_volume: 244.461
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pub_title:
 Crystallographic and magnetic properties of the Cd(OH)2
 layer structure compound TiS2 containing extra iron

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formula: (Ta.18 W.82) Y.06 O3
compound: <missing>
formula_title: O3 Ta0.18 W0.82 Y0.06
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c: 3.774
alpha: 90
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pub_title:
 Evolution structurale de nouvelles Perovskites lacunaires Yx(Ta3xW1-3x)O3
 _cod_database_code 1001123

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formula: (Ta.72 W.28) Y.24 O3
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formula_title: O3 Ta0.72 W0.28 Y0.24
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c: 3.833
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pub_title:
 Evolution structurale de nouvelles Perovskites lacunaires Yx(Ta3xW1-3x)O3
 _cod_database_code 1001124

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formula: Ta1.8 W.2 Y.6 O6
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formula_title: O3 Ta0.9 W0.1 Y0.3
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c: 7.727
alpha: 90
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pub_title:
 Evolution structurale de nouvelles Perovskites lacunaires Yx(Ta3xW1-3x)O3
 _cod_database_code 1001125

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formula: K2 Ti Si3 O9
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formula_title: K2 O9 Si3 Ti
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b: 6.774
c: 9.922
alpha: 90
beta: 90
gamma: 120
cell_volume: 394.294
crystal_density: 2.984
atoms_sites: ["K1", "Ti1", "Si1", "O1", "O2"]
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001111

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formula: Rb2 Ti Si3 O9
compound: <missing>
formula_title: O9 Rb2 Si3 Ti
a: 6.896
b: 6.896
c: 9.943
alpha: 90
beta: 90
gamma: 120
cell_volume: 409.489
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atoms_sites: ["Rb1", "Ti1", "Si1", "O1", "O2"]
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001112

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formula: K2 Sn Si3 O9
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formula_title: K2 O9 Si3 Sn
a: 6.86
b: 6.86
c: 10.12
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001113

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formula: Rb2 Sn Si3 O9
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formula_title: O9 Rb2 Si3 Sn
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b: 6.943
c: 10.04
alpha: 90
beta: 90
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001114

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formula: Tl2 Ti Ge3 O9
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formula_title: Ge3 O9 Ti Tl2
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c: 10.267
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001115

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formula: Cs2 Ti Ge3 O9
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formula_title: Cs2 Ge3 O9 Ti
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c: 10.36
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gamma: 120
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001116

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formula: Cs2 Sn Ge3 O9
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formula_title: Cs2 Ge3 O9 Sn
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c: 10.472
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Evolution structural de nouveaux germanates et silicates de type
 Wadeite et de structure apparentee
 _cod_database_code 1001117

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formula: Fe2 P
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pub_title: Determination of the homogenity range and refinement of the crystal structure of Fe2P
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pub_title:
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pub_title:
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pub_title:
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pub_title:
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pub_title: Structural study of a new hexagonal form of tungsten trioxide _cod_database_code 1004057
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pub_title:
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pub_title:
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
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pub_title:
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
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pub_title:
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
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 _cod_database_code 1001216

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pub_title:
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
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formula: (La2 Ba) Zn O5
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pub_title:
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pub_title:
 Une nouvelle famille structurale:
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formula: Na2 Mg Al F7
compound: Ivigtut, Greenland
pub_title: What is the true space group of weberite? Sample: Imma refinement, T = ambient
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compound: Ivigtut, Greenland
pub_title: What is the true space group of weberite? Sample: Imma refinement, T = 133 K
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pub_title:
 What is the true space group of weberite?
 Sample: I2_12_12_1 refinement, T = ambient
 Note: y(F6) and z(F6) corrected

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pub_title:
 What is the true space group of weberite?
 Sample: I2_12_12_1 refinement, T = 133 K
 Note: y(F6) and z(F6) corrected

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pub_title:
 What is the true space group of weberite?
 Sample: I2mb refinement, T = ambient
 Note: z(F6) corrected

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pub_title:
 What is the true space group of weberite?
 Sample: I2mb refinement, T = 133 K
 Note: z(F6) corrected

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 Crystal Chemistry of M(II) Ag(PO3)3 Polyphosphates for
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pub_title:
 Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
 nonstoichiometric ramsdellite and its transition to a double hexagonal
 close packed structure for x = 0
 _cod_database_code 1000433

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formula_title: Fe2 Li2.33 O8 Sb Sn0.66
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pub_title:
 Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4
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beta: 90
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pub_title:
 Etudes structurales de composes de type cementite: effet de l'hydrogene sur
 Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et
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pub_title: Ba.15 W O3: A Bronze with an Original Pentagonal Tunnel Structure _cod_database_code 1001273
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