# cif

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compound: <missing>
formula_title: <missing>
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b: 10.4332
c: 6.1001
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.246
crystal_density: 3.723
atoms_sites: ["FeM1", "MgM1", "FeM2", "MgM2", "Si", "O1", "O2", "O3"]
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 700 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
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b: 10.4453
c: 6.1078
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 800 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
a: 4.8341
b: 10.4515
c: 6.1115
alpha: 90
beta: 90
gamma: 90
cell_volume: 308.775
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 850 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
a: 4.8363
b: 10.4582
c: 6.1155
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 900 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
a: 4.8426
b: 10.4810
c: 6.1284
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 1050 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
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b: 10.4955
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 1150 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
a: 4.8488
b: 10.5009
c: 6.1399
alpha: 90
beta: 90
gamma: 90
cell_volume: 312.624
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 1200 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
a: 4.8494
b: 10.5023
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 1225 C

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formula: (Fe Mg) Si O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Octahedral cation ordering in olivine at high temperature. II: an in situ
 neutron powder diffraction study on synthetic MgFeSiO4 (Fa50)
 Sample: T = 1250 C

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
a: 8.4412
b: 8.4412
c: 8.4412
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.468
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 0.0 GPa


formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
a: 8.4129
b: 8.4129
c: 8.4129
alpha: 90
beta: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 1.8 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3731
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alpha: 90
beta: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 4.6 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3603
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alpha: 90
beta: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 5.5 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
a: 8.3470
b: 8.3470
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 6.8 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3177
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alpha: 90
beta: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 9.0 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3069
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 10.2 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
a: 8.2884
b: 8.2884
c: 8.2884
alpha: 90
beta: 90
gamma: 90
cell_volume: 569.393
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atoms_sites: ["ZnT", "FeM", "O"]
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 11.5 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
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 Sample: P = 12.9 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
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 Sample: P = 14.2 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
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 Sample: P = 16.0 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
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 Sample: P = 17.8 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 19.7 GPa

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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 22.1 GPa

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formula: Zn Fe2 O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Phase transition of synthetic zinc ferrite spinel (ZnFe2O4)
 at high pressure, from synchrotron X-ray powder diffraction
 Sample: P = 24.4 GPa

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formula: Al O2 H
compound: <missing>
pub_title: A new hydrous phase delta-AlOOH synthesized at 21 GPa and 1000 C
formula_title: AlOOH
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compound: <missing>
pub_title: Location of OH groups and oxidation processes in triclinic chloritoid
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formula: Li Al Si2 O6
compound: <missing>
formula_title: <missing>
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gamma: 90
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 0 GPa

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compound: <missing>
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 3.164 GPa

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formula: Li Al Si2 O6
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 3.342 GPa

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formula: Li Al Si2 O6
compound: <missing>
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 8.835 GPa

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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 0 GPa

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formula: Li Sc Si2 O6
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formula_title: LiScSi2O6
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 2.113 GPa

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formula: Li Sc Si2 O6
compound: <missing>
formula_title: LiScSi2O6
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beta: 109.601
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cell_volume: 418.646
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 4.804 GPa

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formula: Zn Si O3
compound: <missing>
formula_title: ZnSiO3
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alpha: 90
beta: 111.294
gamma: 90
cell_volume: 440.695
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = .321 GPa

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formula: Zn Si O3
compound: <missing>
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atoms_aniso_u23: 0
pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 4.258 GPa

qdat:
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formula: Zn Si O3
compound: <missing>
formula_title: ZnSiO3
a: 9.4098
b: 8.8327
c: 4.9800
alpha: 90
beta: 103.906
gamma: 90
cell_volume: 401.776
crystal_density: 4.678
atoms_sites: ["ZnM1", "ZnM2", "Si", "O1", "O2", "O3"]
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pub_title:
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 5.304 GPa

qdat:
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formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.394
b: 8.394
c: 8.394
alpha: 90
beta: 90
gamma: 90
cell_volume: 591.435
crystal_density: 5.201
atoms_sites: ["FeO", "FeT", "O"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.000, synthesized at 1200 C, 6 GPa

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formula: (Fe2.91 Si.09) O4
compound: <missing>
formula_title: <missing>
a: 8.392
b: 8.392
c: 8.392
alpha: 90
beta: 90
gamma: 90
cell_volume: 591.012
crystal_density: 5.148
atoms_sites: ["FeO", "SiO", "FeT", "SiT", "O"]
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pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.090, synthesized at 1200 C, 6 GPa

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formula: Fe2.719 Si.289 O4
compound: <missing>
formula_title: <missing>
a: 8.374
b: 8.374
c: 8.374
alpha: 90
beta: 90
gamma: 90
cell_volume: 587.217
crystal_density: 5.067
atoms_sites: ["FeO", "SiO", "FeT", "SiT", "O"]
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pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.288, synthesized at 1200 C, 10 GPa

qdat:
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formula: (Fe2.25 Si.75) O4
compound: <missing>
formula_title: Fe2.25Si.75O4
a: 8.286
b: 8.286
c: 8.286
alpha: 90
beta: 90
gamma: 90
cell_volume: 568.899
crystal_density: 4.920
atoms_sites: ["FeO", "SiO", "FeT", "SiT", "O"]
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pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.750, synthesized at 1200 C, 10 GPa

qdat:
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formula: (Fe2.08 Si.92) O4
compound: <missing>
formula_title: Fe2.18Si.92O4
a: 8.256
b: 8.256
c: 8.256
alpha: 90
beta: 90
gamma: 90
cell_volume: 562.742
crystal_density: 4.863
atoms_sites: ["FeO", "SiO", "FeT", "SiT", "O"]
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pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.920, synthesized at 1200 C, 10 GPa

qdat:
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formula: (Fe2 Si) O4
compound: Synthetic
formula_title: <missing>
a: 8.2374
b: 8.2374
c: 8.2374
alpha: 90
beta: 90
gamma: 90
cell_volume: 558.947
crystal_density: 4.843
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pub_title:
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 1.000, synthesized at 1200 C, 10 GPa

qdat:
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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8444
b: 7.8444
c: 5.0265
alpha: 90
beta: 90
gamma: 90
cell_volume: 309.304
crystal_density: 3.299
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 297 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8507
b: 7.8507
c: 5.0281
alpha: 90
beta: 90
gamma: 90
cell_volume: 309.899
crystal_density: 3.293
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 393 K
 Melilite group

qdat:
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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8563
b: 7.8563
c: 5.0294
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.422
crystal_density: 3.287
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 468 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8590
b: 7.8590
c: 5.0260
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.425
crystal_density: 3.287
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 493 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8591
b: 7.8591
c: 5.0258
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.421
crystal_density: 3.287
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 503 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
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b: 7.8615
c: 5.0268
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.672
crystal_density: 3.285
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 533 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8656
b: 7.8656
c: 5.0289
alpha: 90
beta: 90
gamma: 90
cell_volume: 311.126
crystal_density: 3.280
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 573 K
 Melilite group

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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8732
b: 7.8732
c: 5.0336
alpha: 90
beta: 90
gamma: 90
cell_volume: 312.019
crystal_density: 3.270
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 673 K
 Melilite group

qdat:
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formula: Co Ca2 Si2 O7
compound: <missing>
formula_title: Ca2CoSi2O7
a: 7.8815
b: 7.8815
c: 5.0387
alpha: 90
beta: 90
gamma: 90
cell_volume: 312.994
crystal_density: 3.260
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 773 K
 Melilite group

qdat:
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formula: Mg Ca2 Si2 O7
compound: <missing>
formula_title: <missing>
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b: 7.8348
c: 5.0087
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.454
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 297 K
 Melilite group

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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 348 K
 Melilite group

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formula: Mg Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 359.4 K
 Melilite group

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formula: Mg Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 359.7 K
 Melilite group

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formula: Mg Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 413 K
 Melilite group

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formula: Mg Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 463 K
 Melilite group

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formula: Mg Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 513 K
 Melilite group

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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 297 K
 Melilite group

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formula: (Mg.55 Fe.45) Ca2 Si2 O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 383 K
 Melilite group

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formula: (Mg.55 Fe.45) Ca2 Si2 O7
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formula_title: Ca2(Mg.55Fe.45)Si2O7
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 423 K
 Melilite group

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formula: (Mg.55 Fe.45) Ca2 Si2 O7
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formula_title: Ca2(Mg.55Fe.45)Si2O7
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alpha: 90
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atoms_sites: ["Mg", "Fe", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 503 K
 Melilite group

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formula: (Mg.55 Fe.45) Ca2 Si2 O7
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formula_title: Ca2(Mg.55Fe.45)Si2O7
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alpha: 90
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 523 K
 Melilite group

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formula: (Mg.55 Fe.45) Ca2 Si2 O7
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formula_title: Ca2(Mg.55Fe.45)Si2O7
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alpha: 90
beta: 90
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cell_volume: 312.050
crystal_density: 3.053
atoms_sites: ["Mg", "Fe", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 543 K
 Melilite group

qdat:
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formula: (Mg.55 Fe.45) Ca2 Si2 O7
compound: <missing>
formula_title: Ca2(Mg.55Fe.45)Si2O7
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alpha: 90
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gamma: 90
cell_volume: 312.252
crystal_density: 3.051
atoms_sites: ["Mg", "Fe", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 573 K
 Melilite group

qdat:
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formula: (Mg.55 Fe.45) Ca2 Si2 O7
compound: <missing>
formula_title: Ca2(Mg.55Fe.45)Si2O7
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alpha: 90
beta: 90
gamma: 90
cell_volume: 313.109
crystal_density: 3.042
atoms_sites: ["Mg", "Fe", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 673 K
 Melilite group

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formula_title: Ca2(Mg.55Fe.45)Si2O7
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atoms_sites: ["Mg", "Fe", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7
 in incommensurate and normal phases and observation of diffuse streaks at high temperature
 Sample: T = 773 K
 Melilite group

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formula_title: MgFe2O4
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pub_title:
 High-pressure phase transformations in the MgFe2O4 and Fe2O3-MgSiO3 systems
 Sample refined as a CaMn2O4-type phase at P = 37.3 GPa

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pub_title:
 Structural and vibrational behaviour of fluorapatite with pressure.
 Part 1: in situ single-crystal X-ray diffraction investigation
 Sample: P = .0001 GPa

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pub_title:
 Structural and vibrational behaviour of fluorapatite with pressure.
 Part 1: in situ single-crystal X-ray diffraction investigation
 Sample: P = 3.04 GPa

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formula_title: <missing>
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pub_title:
 Structural and vibrational behaviour of fluorapatite with pressure.
 Part 1: in situ single-crystal X-ray diffraction investigation
 Sample: P = 4.72 GPa

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pub_title:
 The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3
 Sample studied by X-ray diffraction

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pub_title:
 The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3
 Sample studied by neutron diffraction

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formula: (Na.82 K.18) Mg F3
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pub_title:
 The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3
 Sample studied by X-ray diffraction, x = .18

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pub_title:
 The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3
 Sample studied by neutron diffraction, x = .5
 One of two alternative models

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pub_title:
 The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3
 Sample studied by neutron diffraction, x = .5
 One of two alternative models

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formula: (Na.44 K.56) Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .56
formula_title: Na.44K.56MgF3
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formula: (Na.4 K.6) Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .60
formula_title: Na.4K.6MgF3
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formula: (Na.33 K.67) Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .67
formula_title: Na.33K.67MgF3
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formula: (Na.3 K.7) Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .70
formula_title: Na.3K.7MgF3
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formula: (Na.22 K.78) Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .78
formula_title: Na.22K.78MgF3
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compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .89
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formula: K Mg F3
compound: <missing>
pub_title: The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = 1.00
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pub_title:
 X-ray powder diffraction study on the modulated high temperature forms
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 Sample: T = 150 C

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 X-ray powder diffraction study on the modulated high temperature forms
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 Sample: superstructure, T = 115 C

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pub_title:
 The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
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 Sample: T = 100 K
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pub_title:
 The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
 a temperature-dependent study
 Sample: T = 200 K
 Pyroxene

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pub_title:
 The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
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 Sample: T = 298 K
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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 3.1 GPa


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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 4.6 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 6.1 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 8.3 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 10.8 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 12.4 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 13.7 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 14.5 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 15.9 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 16.7 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 17.7 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 18.6 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 19.9 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 21.0 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 21.9 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
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 Sample: P = 23.8 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 25.4 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 27.2 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 29.8 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 32.2 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 35.2 GPa

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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 39.8 GPa

qdat:
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formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 7.7452
b: 7.7452
c: 7.7452
alpha: 90
beta: 90
gamma: 90
cell_volume: 464.620
crystal_density: 5.242
atoms_sites: ["ZnM", "AlT", "O"]
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pub_title:
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 42.9 GPa

qdat:
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formula: Fe2 Si O4
compound: <missing>
formula_title: <missing>
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b: 6.0818
c: 4.8150
alpha: 90
beta: 90
gamma: 90
cell_volume: 306.300
crystal_density: 4.419
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pub_title:
 The electric field gradient in synthetic fayalite alpha-Fe2SiO4
 at moderate temperatures
 Sample: T = 153 K

qdat:
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formula: Fe Si
compound: <missing>
formula_title: <missing>
a: 4.55070
b: 4.55070
c: 4.55070
alpha: 90
beta: 90
gamma: 90
cell_volume: 94.240
crystal_density: 5.916
atoms_sites: ["Fe", "Si"]
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pub_title:
 Thermal expansion and crystal structure of FeSi between 4 and 1173 K
 determined by time-of-flight neutron powder diffraction
 Sample: T = 300 K, epsilon FeSi phase

qdat:
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formula: Sb2 S3
compound: <missing>
formula_title: <missing>
a: 11.292
b: 3.828
c: 11.205
alpha: 90
beta: 90
gamma: 90
cell_volume: 484.345
crystal_density: 4.659
atoms_sites: ["Sb1", "Sb2", "S1", "S2", "S3"]
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pub_title:
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 128 K

qdat:
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formula: Sb2 S3
compound: <missing>
formula_title: <missing>
a: 11.299
b: 3.828
c: 11.214
alpha: 90
beta: 90
gamma: 90
cell_volume: 485.034
crystal_density: 4.652
atoms_sites: ["Sb1", "Sb2", "S1", "S2", "S3"]
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pub_title:
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 173 K

qdat:
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formula: Sb2 S3
compound: <missing>
formula_title: <missing>
a: 11.305
b: 3.836
c: 11.223
alpha: 90
beta: 90
gamma: 90
cell_volume: 486.696
crystal_density: 4.636
atoms_sites: ["Sb1", "Sb2", "S1", "S2", "S3"]
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pub_title:
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 225 K

qdat:
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formula: Sb2 S3
compound: <missing>
formula_title: <missing>
a: 11.314
b: 3.837
c: 11.234
alpha: 90
beta: 90
gamma: 90
cell_volume: 487.688
crystal_density: 4.627
atoms_sites: ["Sb1", "Sb2", "S1", "S2", "S3"]
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pub_title:
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 293 K

qdat:
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formula: (Mg.463 Fe.416 Mn.014 Ca.107) Si O3
compound: <missing>
formula_title: <missing>
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beta: 108.49
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cell_volume: 433.035
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pub_title:
 Non-convergent ordering and displacive phase transition in pigeonite:
 in situ HT XRD study
 Sample: hga, T = 25 C

atoms_sites:
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formula: Mg.461 Fe.419 Mn.014 Ca.106 Si O3
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 109.01
gamma: 90
cell_volume: 442.070
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pub_title:
 Non-convergent ordering and displacive phase transition in pigeonite:
 in situ HT XRD study
 Sample: hgd, T = 650 C

atoms_sites:
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compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Non-convergent ordering and displacive phase transition in pigeonite:
 in situ HT XRD study
 Sample: hgg, T = 750 C

qdat:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Non-convergent ordering and displacive phase transition in pigeonite:
 in situ HT XRD study
 Sample: hgi, T = 850 C

qdat:
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formula: (Mg.468 Fe.411 Mn.014 Ca.107) Si O3
compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 445.827
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pub_title:
 The charge-density distribution, its multipole refinement and the
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pub_title:
 Study of the electron density in MgO, (Mg0.963Fe0.037)O and Cu2O by the
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pub_title:
 Study of the electron density in MgO, (Mg0.963Fe0.037)O and Cu2O by the
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formula: Ca F2
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pub_title:
 Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa
 Sample: P = 8.35 GPa
 Note: density changed to 3.462 Mg/m3, from personal communication by authors November 2003.

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 Structural characterization of high-pressure C-Na2Si2O5
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pub_title:
 Characterization of trace Nd and Ce site preference and coordination in natural
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formula: Si O2
compound: <missing>
pub_title: Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 12.3 GPa
formula_title: <missing>
a: 4.118
b: 4.118
c: 2.649
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.922
crystal_density: 4.442
atoms_sites: ["Si", "O"]
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formula: Si O2
compound: <missing>
pub_title: Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 29.1 GPa
formula_title: <missing>
a: 4.044
b: 4.044
c: 2.619
alpha: 90
beta: 90
gamma: 90
cell_volume: 42.831
crystal_density: 4.659
atoms_sites: ["Si", "O"]
atoms_x: AAAAAHCMEgA=
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.638
b: 8.709
c: 5.258
alpha: 90
beta: 109.83
gamma: 90
cell_volume: 415.172
crystal_density: 3.435
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "SiB", "O1A", "O1B", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 25 C

qdat:
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.651
b: 8.706
c: 5.270
alpha: 90
beta: 109.95
gamma: 90
cell_volume: 416.222
crystal_density: 3.427
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "SiB", "O1A", "O1B", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u23: 0
pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 75 C

qdat:
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.672
b: 8.697
c: 5.281
alpha: 90
beta: 110.09
gamma: 90
cell_volume: 417.195
crystal_density: 3.419
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "SiB", "O1A", "O1B", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u23: 0
pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 95 C

qdat:
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.694
b: 8.690
c: 5.293
alpha: 90
beta: 110.23
gamma: 90
cell_volume: 418.381
crystal_density: 3.409
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "O1A", "O2A", "O3A"]
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atoms_aniso_u23: 0
pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 125 C

qdat:
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.701
b: 8.690
c: 5.295
alpha: 90
beta: 110.26
gamma: 90
cell_volume: 418.760
crystal_density: 3.406
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "O1A", "O2A", "O3A"]
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pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 150 C

qdat:
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formula: Li.85 Mg.24 Fe.91 Si2 O6
compound: <missing>
formula_title: (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
a: 9.707
b: 8.693
c: 5.298
alpha: 90
beta: 110.27
gamma: 90
cell_volume: 419.375
crystal_density: 3.401
atoms_sites: ["LiM2", "MgM2", "FeM2", "FeM1", "MgM1", "SiA", "O1A", "O2A", "O3A"]
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pub_title:
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 200 C

qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X1air, in air, P = 0.0001 GPa
formula_title: <missing>
a: 7.1366
b: 12.3723
c: 7.1749
alpha: 90
beta: 120.330
gamma: 90
cell_volume: 546.808
crystal_density: 2.919
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: GI8IACDuHgAAAAAAgIQeAPBAEABg+xIAUA4BAA==
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atoms_u_iso: KGkAAHBsAABApgAAKJsAALirAACotgAAQKYAAA==
atoms_aniso_label: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X1P0, in cell, P = 0.0001 GPa
formula_title: <missing>
a: 7.1366
b: 12.3723
c: 7.1749
alpha: 90
beta: 120.330
gamma: 90
cell_volume: 546.808
crystal_density: 2.919
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: eJMIAJjuHgAAAAAAgIQeAGA/EABg+xIAcBEBAA==
atoms_y: WJwGACCpCQAAAAAAUBwHAJCGBwBwVwYAwPYMAA==
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atoms_occupancy: 0
atoms_u_iso: OE8AAKhXAACAjgAA2HIAAIiQAAAwrAAAeIwAAA==
atoms_aniso_label: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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atoms_aniso_u23: 2PD//8D+//9oz///AAAAAODt//8g6v//0PP//w==
qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X1P8, P = 2.248 GPa
formula_title: <missing>
a: 7.0666
b: 12.3049
c: 7.1462
alpha: 90
beta: 120.54
gamma: 90
cell_volume: 535.187
crystal_density: 2.983
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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atoms_occupancy: 0
atoms_u_iso: AF8AAABfAABQoAAAkIgAAHiMAABgmgAAmIoAAA==
atoms_aniso_label: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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atoms_aniso_u22: 6HEAAIB1AAAAPAAA4IMAANBrAADggwAA+C8AAA==
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atoms_aniso_u23: qO7//8D+//8Yyv//AAAAAADi//8AxP//CAwAAA==
qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X4P4, P = 2.84 GPa
formula_title: <missing>
a: 7.0500
b: 12.2907
c: 7.1386
alpha: 90
beta: 120.587
gamma: 90
cell_volume: 532.488
crystal_density: 2.998
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: 6HMIAHgEHwAAAAAAgIQeAHC3DwBgRhMAwHABAA==
atoms_y: wKwGAPiZCQAAAAAAUNEGADjFBwAwPQYAEPcMAA==
atoms_z: 4FcEAFgnIQAAAAAAwMYtAKDlOAAA7BMA8PIcAA==
atoms_occupancy: 0
atoms_u_iso: ME0AADhPAACIhgAAeIwAAMh4AACIkAAAuH4AAA==
atoms_aniso_label: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: SF0AAAhmAADIkQAAEMwAAMArAAAAjAAAyJEAAA==
atoms_aniso_u22: +EgAABhWAADAUwAAiHcAAEjLAAB4mwAAuEcAAA==
atoms_aniso_u33: wFMAAKhNAAB4mwAAgIkAAKB9AACoXAAAWMUAAA==
atoms_aniso_u12: 0O7//8D+//+Y1v//AAAAABDw//8Q5v//wPT//w==
atoms_aniso_u13: EDsAAABBAAAYOAAA2IEAADAvAACIHQAAKHMAAA==
atoms_aniso_u23: 4PL//6j9//8Y6P//AAAAABD6//8Q3P//kBUAAA==
qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X1P3, P = 3.763 GPa
formula_title: <missing>
a: 7.0203
b: 12.2615
c: 7.1260
alpha: 90
beta: 120.670
gamma: 90
cell_volume: 527.599
crystal_density: 3.026
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: AGYIAFAJHwAAAAAAgIQeAOCcDwBgXxMAUIsBAA==
atoms_y: eLMGAOCYCQAAAAAAQMMGAKjcBwCwKwYAgPAMAA==
atoms_z: OFAEAMg0IQAAAAAAwMYtAFDROADg6BMAkNAcAA==
atoms_occupancy: 0
atoms_u_iso: GFsAACBTAABYmAAAyHgAAHiMAACIkAAAqIQAAA==
atoms_aniso_label: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: MGYAAEBlAADImwAAkKEAACiWAAAgrQAAaI0AAA==
atoms_aniso_u22: qGEAAGhHAABIUwAA0I4AAPCCAAAIawAAqC8AAA==
atoms_aniso_u33: UFAAAEhTAABotQAAKF8AAMCUAAD4cAAAENYAAA==
atoms_aniso_u12: UPH//wjz//8wy///AAAAAAAAAABY7v//WO7//w==
atoms_aniso_u13: 4DMAACgyAACQPQAAuGAAANBXAAAwIAAAwF0AAA==
atoms_aniso_u23: uPf//3D5//8AAAAAAAAAAPAFAABI1v//8AUAAA==
qdat:
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X4P2, P = 4.45 GPa
formula_title: <missing>
a: 7.0035
b: 12.2462
c: 7.1178
alpha: 90
beta: 120.708
gamma: 90
cell_volume: 524.868
crystal_density: 3.041
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X4P3, P = 5.01 GPa
formula_title: <missing>
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formula: Si O2
compound: <missing>
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formula_title: <missing>
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beta: 120.820
gamma: 90
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formula: Si O2
compound: <missing>
pub_title: Compression mechanisms of coesite Sample: X1P5, P = 6.509 GPa
formula_title: <missing>
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beta: 120.850
gamma: 90
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formula: Si O2
compound: <missing>
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formula: Si O2
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pub_title: Compression mechanisms of coesite Sample: X4P1, P = 8.68 GPa
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compound: <missing>
formula_title: <missing>
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pub_title:
 Pressure-induced phase transition in synthetic trioctahedral Rb-mica
 Sample: P = .0001 GPa, data collected in air

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pub_title:
 Pressure-induced phase transition in synthetic trioctahedral Rb-mica
 Sample: P = .0001 GPa, data collected at room conditions in the DAC

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pub_title: Pressure-induced phase transition in synthetic trioctahedral Rb-mica Sample: P = 1.76 GPa
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compound: <missing>
pub_title: Pressure-induced phase transition in synthetic trioctahedral Rb-mica Sample: P = 2.81 GPa
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compound: <missing>
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formula: Rb.99 Fe4.07 Si2.96 O12 H2
compound: <missing>
pub_title: Pressure-induced phase transition in synthetic trioctahedral Rb-mica Sample: P = 7.2 GPa
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formula: Ca3 Si C S O25 H30
compound: unknown
formula_title: <missing>
a: 11.022
b: 11.022
c: 10.374
alpha: 90
beta: 90
gamma: 120
cell_volume: 1091.434
crystal_density: 1.895
atoms_occupancy: 0
atoms_aniso_label: ["Ca", "Si", "C", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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pub_title:
 Thermal expansion of hydrated six-coordinated silicon in thaumasite,
 Ca3Si(OH)6(CO3)(SO4).12H2O
 Sample: T = 130 K

atoms_sites:
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formula: Ca3 Si C S O25 H30
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pub_title:
 Thermal expansion of hydrated six-coordinated silicon in thaumasite,
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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
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 Sample: L-Cr, 1st run, T = 25 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 1st run, T = 200 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 1st run, T = 400 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 1st run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 1st run, T = 25 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 2nd run, T = 500 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 2nd run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 550 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 600 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 650 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 700 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 800 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 900 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Cr, 3rd run, T = 1000 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 1st run, T = 28 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 1st run, T = 200 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 1st run, T = 400 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 1st run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 2nd run, T = 500 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 2nd run, T = 450 C

qdat:
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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 550 C

qdat:
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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 600 C

qdat:
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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 650 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 700 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 800 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 900 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: M-Cr, 3rd run, T = 1000 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 1st run, T = 25 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 1st run, T = 200 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 1st run, T = 400 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 1st run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 2nd run, T = 500 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 2nd run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 550 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 600 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 650 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 700 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 800 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 900 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: H-Cr, 3rd run, T = 1000 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 1st run, T = 25 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 1st run, T = 200 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 1st run, T = 400 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 1st run, T = 450 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 1st run, T = 25 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 2nd run, T = 500 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 2nd run, T = 450 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 550 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 600 C


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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 650 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 700 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 800 C

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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 900 C


formula: Al1.911 Fe.082 Mg.997 O4
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pub_title:
 How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high temperature
 in natural spinels
 Sample: L-Fe, 3rd run, T = 1000 C

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formula: Sb2 S3
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cell_volume: 486.015
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 0.0001 GPa

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formula: Sb2 S3
compound: <missing>
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 1.115 GPa

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formula: Sb2 S3
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 1.591 GPa

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formula: Sb2 S3
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 2.118 GPa

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formula: Sb2 S3
compound: <missing>
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alpha: 90
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 3.235 GPa

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formula: Sb2 S3
compound: <missing>
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alpha: 90
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 7.406 GPa

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formula: Sb2 S3
compound: <missing>
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pub_title:
 Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
 Sample: Romania, P = 7.832 GPa

qdat:
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formula: Na1.62 Mg6.19 Si8 O24 H2
compound: <missing>
formula_title: Na2Mg6Si8O22(OH)2
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b: 17.920
c: 5.268
alpha: 90
beta: 102.44
gamma: 90
cell_volume: 892.823
crystal_density: 2.970
pub_title:
 The P2_1/m - C2/m phase transition in synthetic amphibole
 Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
 Sample: T = ambient

atoms_sites:
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formula: Na1.62 Mg6.19 Si8 O24 H2
compound: <missing>
formula_title: Na2Mg6Si8O22(OH)2
a: 9.706
b: 17.986
c: 5.286
alpha: 90
beta: 102.37
gamma: 90
cell_volume: 901.365
crystal_density: 2.942
pub_title:
 The P2_1/m - C2/m phase transition in synthetic amphibole
 Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
 Sample: T = 140 C

atoms_sites:
["NaA", "Mg1", "Mg2", "Mg3", "Mg4", "Na4*", "Si1A", "Si1B", "Si2A", "Si2B", "O1A", "O1B", "O2A", "O2B", "O-H3A", "O-H3B", "O4A", "O4B", "O5A", "O5B", "O6A", "O6B", "O7A", "O7B"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
["NaA", "Mg1", "Mg2", "Mg3", "Mg4", "Si1A", "Si1B", "Si2A", "Si2B", "O1A", "O1B", "O2A", "O2B", "O-H3A", "O-H3B", "O4A", "O4B", "O5A", "O5B", "O6A", "O6B", "O7A", "O7B"]

atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na1.62 Mg6.19 Si8 O24 H2
compound: <missing>
formula_title: Na2Mg6Si8O22(OH)2
a: 9.723
b: 18.027
c: 5.301
alpha: 90
beta: 102.26
gamma: 90
cell_volume: 907.951
crystal_density: 2.920
atoms_x: AAAAALCUAQAAAAAAAAAAAAAAAAAAAAAAAAAAAKAmEQDA2BEAYN8GANBzBwAApAYAIKsWADApFQAAGBUAkLUUAODmCwA=
atoms_y: gIQeAICEHgCwYwUAsPQKAAAAAADA/Q8AwP0PACAwBQAwawoAcEQFAGB8CgAAAAAA0BEPACC6BwDwRAcAAAAAAAAAAAA=
atoms_z: AAAAACCUBQCAhB4AAAAAAAAAAACAhB4AgIQeAPDWEAAQzy8A0OsMAPDjKwAgFCsAYJgvAMCWAwDwHyIA4PoQAGDQLgA=
atoms_occupancy: wOsSAEBCDwAACT0AAAk9AAAJPQDgUCQAILgYAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: OMEBAEAiAgBIqAAAsNsAADCsAACo9gEAqPYBAJiAAABApgAAKKoAAKDhAACo2QAAQGQBAMA0AQBoUAEAiEQBAAgCAAA=
atoms_aniso_u11: +MAAAFhlAQCQ3QAAkA8BAGh5AABYLQIAWC0CAJiyAABgpAAAYHIAAPgkAQBg1gAAkHMBAJAPAQCY5AAAkKUBAA==
atoms_aniso_u22: sB4EABieAwAwAQEAYJoAAPhmAAC4AwMAuAMDAJiAAAAAtAAAkOcAAPgaAQAAtAAA+BoBAPjOAQBYaQIA+GYAAA==
atoms_aniso_u33: WDkAAIDEAQC4LgAAMPIAAHD4AACAGgEAgBoBAMhQAABgnwAAAKoAAOB0AADQ/AAAEFgBAPjeAAAgewAAmOgBAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAbAADQ5P//YNf//8jJ//8AAAAAWF3//5gNAABoUQAAAAAAAA==
atoms_aniso_u13: OKr//5AUAQD4TQAAyFUAAGDN//8YSwEAGEsBAIg2AAAAIwAAuC4AABBKAACINgAA8LX//xBtAACo5P//8L4AAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAwFgAAWAcAAFgHAAAAAAAAiB0AAFixAACgKf//AAAAAA==
pub_title:
 The P2_1/m - C2/m phase transition in synthetic amphibole
 Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
 Sample: T = 270 C

atoms_sites:
["NaA", "NaAm", "Mg1", "Mg2", "Mg3", "Mg4", "Na4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

atoms_aniso_label:
["NaA", "NaAm", "Mg1", "Mg2", "Mg3", "Mg4", "Na4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

qdat:
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formula: Na1.62 Mg6.19 Si8 O24 H2
compound: <missing>
formula_title: Na2Mg6Si8O22(OH)2
a: 9.737
b: 18.049
c: 5.303
alpha: 90
beta: 102.22
gamma: 90
cell_volume: 910.849
crystal_density: 2.911
atoms_x: AAAAAEATAgAAAAAAAAAAAAAAAAAAAAAAAAAAAMApEQDQzREAUOoGACBvBwAgpwYAAMEWAKAnFQDQBhUAUK8UAKDNCgA=
atoms_y: gIQeAICEHgAgYgUAEP4KAAAAAAAQ+Q8AEPkPACAwBQAwawoA4EIFAKCCCgAAAAAAsA4PAHC1BwAQSAcAAAAAAAAAAAA=
atoms_z: AAAAAMDoBgCAhB4AAAAAAAAAAACAhB4AgIQeAEDSEAAgxC8AIM4MAODuKwCwRysAYOMvAMB9AwBwEyIAYNUQACC9LAA=
atoms_occupancy: wOsSAEBCDwAACT0AAAk9AAAJPQDgUCQAILgYAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: gAoCAFB7AgCg4QAAGA8BALA6AQAI0wEACNMBAEieAAAIwAAAELgAAAAdAQA4YgEAwJMBABhuAQDghwEAaFABAAgyAgA=
atoms_aniso_u11: qEIBAOD1AQBAXwEA8PoAAAB8AQDInwEAyJ8BANikAABQCQEAcI8AANB0AQCYmAEAsO4BAGiRAQBg5QAAMN4AAA==
atoms_aniso_u22: 6FQEADAhBABgNQEACOgAAFhNAABgHwMAYB8DAEDOAAB4tAAACOgAAJgbAQCwmgAA4IIBAJAdAgCwhAIAmBsBAA==
atoms_aniso_u33: 8EEAAEAyAQBgSgAAGEEBACi4AQAADgEAAA4BABB3AACAjgAA4NgAAPCWAABw3gEAMBABAGiwAAAQMAEA8AgCAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGjy//841///AAAAAAi8//8AAAAA4Fz//2jy///4QwAAAAAAAA==
atoms_aniso_u13: oJL//9AHAAAAoAAA4C4AAOgDAAC4KAEAuCgBAOAuAADIMgAAoIwAAOCx///wVQAAwOD//0hxAAAQJwAAkGUAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgHAABYBwAAqPj///ja//8AAAAAYCwAAIDAAABQKf//AAAAAA==
pub_title:
 The P2_1/m - C2/m phase transition in synthetic amphibole
 Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
 Sample: T = 370 C

atoms_sites:
["NaA", "NaAm", "Mg1", "Mg2", "Mg3", "Mg4", "Na4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

atoms_aniso_label:
["NaA", "NaAm", "Mg1", "Mg2", "Mg3", "Mg4", "Na4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

qdat:
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formula: Fe.747 Mn.215 Ti.027 Nb1.894 Ta.094 W.003 Sc.003 Ca.001 Sn.001 O6
compound: San Jose de Safira, Minas Gerais, Brazil
pub_title: High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 20 C
formula_title: <missing>
a: 14.2880
b: 5.7364
c: 5.0562
alpha: 90
beta: 90
gamma: 90
cell_volume: 414.415
crystal_density: 5.524
atoms_sites: ["Fe2+A", "Mn2+A", "Ti4+A", "Nb5+B", "Ta5+B", "W6+B", "Sc3+B", "Ca2+B", "Sn4+B", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAAAAAAkN4JAJDeCQCQ3gkAkN4JAJDeCQCQ3gkAMO0FAHD5BAAw6Q4A
atoms_y: EBMUABATFAAQExQAoP8KAKD/CgCg/woAoP8KAKD/CgCg/woAoE8GALBbFwBgjgcA
atoms_z: QEIPAEBCDwBAQg8A8KUtAPClLQDwpS0A8KUtAPClLQDwpS0AQDkEAPB3JACgjBkA
atoms_occupancy: 4JctAGAfDQDgpQEA4Mw5AGDeAgBwFwAAcBcAANAHAADQBwAAAAk9AAAJPQAACT0A
atoms_u_iso: 0GsAANBrAADQawAA8FUAAPBVAADwVQAA8FUAAPBVAADwVQAAMHUAAMCPAABwewAA
atoms_aniso_label: ["Fe2+A", "Mn2+A", "Ti4+A", "Nb5+B", "Ta5+B", "W6+B", "Sc3+B", "Ca2+B", "Sn4+B", "O1", "O2", "O3"]
atoms_aniso_u11: UF8AAFBfAABQXwAAkEwAAJBMAACQTAAAkEwAAJBMAACQTAAAkH4AANCEAABAgwAA
atoms_aniso_u22: 8G4AAPBuAADwbgAAQFEAAEBRAABAUQAAQFEAAEBRAABAUQAAEFkAAFB4AACAcAAA
atoms_aniso_u33: MHUAADB1AAAwdQAAcGIAAHBiAABwYgAAcGIAAHBiAABwYgAAgIkAACCyAACQfgAA
atoms_aniso_u12: AAAAAAAAAAAAAAAAsAQAALAEAACwBAAAsAQAALAEAACwBAAAwBIAAFAUAAAg6v//
atoms_aniso_u13: 4Pz//+D8///g/P//UPv//1D7//9Q+///UPv//1D7//9Q+///UPv//1D7//9Q+///
atoms_aniso_u23: AAAAAAAAAAAAAAAAcP7//3D+//9w/v//cP7//3D+//9w/v//wBIAAOD8///w8f//
qdat:
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formula: Fe.747 Mn.215 Ti.027 Nb1.894 Ta.094 W.003 Sc.003 Ca.001 Sn.001 O6
compound: San Jose de Safira, Minas Gerais, Brazil
pub_title: High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 300 C
formula_title: <missing>
a: 14.3191
b: 5.7482
c: 5.0713
alpha: 90
beta: 90
gamma: 90
cell_volume: 417.414
crystal_density: 5.484
atoms_sites: ["Fe2+A", "Mn2+A", "Ti4+A", "Nb5+B", "Ta5+B", "W6+B", "Sc3+B", "Ca2+B", "Sn4+B", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAAAAAAkN4JAJDeCQCQ3gkAkN4JAJDeCQCQ3gkAgOgFALD/BADA6g4A
atoms_y: sAkUALAJFACwCRQA0PcKAND3CgDQ9woA0PcKAND3CgDQ9woA0EcGAEBdFwAAngcA
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atoms_u_iso: 0EwBANBMAQDQTAEAoAkBAKAJAQCgCQEAoAkBAKAJAQCgCQEAEFMBACBhAQAQUwEA
atoms_aniso_label: ["Fe2+A", "Mn2+A", "Ti4+A", "Nb5+B", "Ta5+B", "W6+B", "Sc3+B", "Ca2+B", "Sn4+B", "O1", "O2", "O3"]
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atoms_aniso_u22: APoAAAD6AAAA+gAAUMMAAFDDAABQwwAAUMMAAFDDAABQwwAAIC8BAEBLAQAwCwEA
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atoms_aniso_u23: AAAAAAAAAAAAAAAAcP7//3D+//9w/v//cP7//3D+//9w/v//wCsAAKD2//8gHAAA
qdat:
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formula: Fe.747 Mn.215 Ti.027 Nb1.894 Ta.094 W.003 Sc.003 Ca.001 Sn.001 O6
compound: San Jose de Safira, Minas Gerais, Brazil
pub_title: High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 600 C
formula_title: <missing>
a: 14.3515
b: 5.7610
c: 5.0833
alpha: 90
beta: 90
gamma: 90
cell_volume: 420.282
crystal_density: 5.447
atoms_sites: ["Fe2+A", "Mn2+A", "Ti4+A", "Nb5+B", "Ta5+B", "W6+B", "Sc3+B", "Ca2+B", "Sn4+B", "O1", "O2", "O3"]
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qdat:
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formula: Mn.792 Fe.138 Ti.077 Nb1.794 Ta.166 Ca.009 Sn.003 Sc.002 W.001 O6
compound: Kragero, Norway
pub_title: High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 20 C
formula_title: <missing>
a: 14.3860
b: 5.7478
c: 5.0797
alpha: 90
beta: 90
gamma: 90
cell_volume: 420.029
crystal_density: 5.513
atoms_sites: ["Mn2+A", "Fe2+A", "Ti4+A", "Nb5+B", "Ta5+B", "Ca2+B", "Sn4+B", "Sc3+B", "W6+B", "O1", "O2", "O3"]
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qdat:
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formula: Mn.792 Fe.138 Ti.077 Nb1.794 Ta.166 Ca.009 Sn.003 Sc.002 W.001 O6
compound: Kragero, Norway
pub_title: High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 300 C
formula_title: <missing>
a: 14.4159
b: 5.7593
c: 5.0905
alpha: 90
beta: 90
gamma: 90
cell_volume: 422.641
crystal_density: 5.479
atoms_sites: ["Mn2+A", "Fe2+A", "Ti4+A", "Nb5+B", "Ta5+B", "Ca2+B", "Sn4+B", "Sc3+B", "W6+B", "O1", "O2", "O3"]
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pub_title:
 High-temperature X-ray investigation of natural columbites
 Note: sample KRA5 at T = 600 C
 Sample: Kragero, Norway

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL2a

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL2d

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL2c

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compound: Sludyanka, Lake Baikal, Russia
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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL2b

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1r

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1p

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1a

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1b

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL3a

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1d

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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL1e

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compound: Sludyanka, Lake Baikal, Russia
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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL3b

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formula: Mg Fe.002 Zn.015 (Al.02 V.96 Cr1.02) O4
compound: Sludyanka, Lake Baikal, Russia
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pub_title:
 Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake Baikal, Russia):
 the influence of V3+ on structural stability
 Sample: VRL3c

qdat:
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formula: (Mg Al.79 Fe1.21) O4
compound: <missing>
formula_title: <missing>
a: 8.2796
b: 8.2796
c: 8.2796
alpha: 90
beta: 90
gamma: 90
cell_volume: 567.581
crystal_density: 4.147
atoms_sites: ["MgA", "AlA", "FeA", "MgB", "AlB", "FeB", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AwMsPAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AwMsPAA==
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atoms_u_iso: oG4AAKBuAACgbgAACHUAAAh1AAAIdQAA4LUAAA==
atoms_aniso_label: ["MgA", "AlA", "FeA", "MgB", "AlB", "FeB", "O"]
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atoms_aniso_u23: AAAAAAAAAAAAAAAAiPr//4j6//+I+v//mPT//w==
pub_title:
 Single-crystal X-ray diffraction study of cation distribution
 in MgAl2O4-MgFe2O4 spinel solid solution
 Sample: T = 23 C, x = 1.21

qdat:
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formula: Mg Al.47 Fe1.52 O4
compound: <missing>
formula_title: <missing>
a: 8.3252
b: 8.3252
c: 8.3252
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.011
crystal_density: 4.279
atoms_sites: ["MgA", "AlA", "FeA", "MgB", "AlB", "FeB", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AILwPAA==
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atoms_u_iso: CGsAAAhrAAAIawAAcHEAAHBxAABwcQAAwJ4AAA==
atoms_aniso_label: ["MgA", "AlA", "FeA", "MgB", "AlB", "FeB", "O"]
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pub_title:
 Single-crystal X-ray diffraction study of cation distribution
 in MgAl2O4-MgFe2O4 spinel solid solution
 Sample: T = 23 C, x = 1.53

qdat:
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formula: Mg1.01 Fe1.77 Al.22 O4
compound: <missing>
formula_title: <missing>
a: 8.3422
b: 8.3422
c: 8.3422
alpha: 90
beta: 90
gamma: 90
cell_volume: 580.553
crystal_density: 4.424
atoms_sites: ["MgA", "FeA", "MgB", "AlB", "FeB", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAICEHgCgrw8A
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atoms_u_iso: aG8AAGhvAABAeQAAQHkAAEB5AAAwnQAA
atoms_aniso_label: ["MgA", "FeA", "MgB", "AlB", "FeB", "O"]
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atoms_aniso_u23: AAAAAAAAAABw+f//cPn//3D5///o9P//
pub_title:
 Single-crystal X-ray diffraction study of cation distribution
 in MgAl2O4-MgFe2O4 spinel solid solution
 Sample: T = 23 C, x = 1.77

qdat:
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formula: (Mg Fe2) O4
compound: <missing>
formula_title: <missing>
a: 8.3600
b: 8.3600
c: 8.3600
alpha: 90
beta: 90
gamma: 90
cell_volume: 584.277
crystal_density: 4.547
atoms_sites: ["MgA", "FeA", "MgB", "FeB", "O"]
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atoms_aniso_label: ["MgA", "FeA", "MgB", "FeB", "O"]
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pub_title:
 Single-crystal X-ray diffraction study of cation distribution
 in MgAl2O4-MgFe2O4 spinel solid solution
 Sample: T = 23 C, x = 2.00

qdat:
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formula: (Al.84 Si.09 Mg.07) O2 H
compound: <missing>
formula_title: delta-AlOOH
a: 4.6975
b: 4.2060
c: 2.8327
alpha: 90
beta: 90
gamma: 90
cell_volume: 55.968
crystal_density: 3.554
atoms_sites: ["Al", "Si", "Mg", "O", "H1", "H2"]
atoms_x: AAAAAAAAAAAAAAAAwFwVAMAOIgBg6gAA
atoms_y: gIQeAICEHgCAhB4AAJstAGAwHwAgty0A
atoms_z: AAAAAAAAAAAAAAAA8KAAAEC3OgBgNh4A
atoms_occupancy: AEUzAEB+BQDARQQAAAk9AIBPEgAANQwA
atoms_u_iso: EFkAABBZAAAQWQAAGFsAAMCTAQDYEwAA
atoms_aniso_label: ["Al", "Si", "Mg", "O"]
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atoms_aniso_u33: wEQAAMBEAADARAAA8G4AAA==
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atoms_aniso_u13: AAAAAAAAAAAAAAAAIE4AAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAA0AcAAA==
pub_title:
 Space group and hydrogen sites of delta-AlOOH and implications
 for a hypothetical high-pressure form of Mg(OH)2

qdat:
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formula: Li1.46 Mg3.65 Fe2.09 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.466
b: 17.970
c: 5.288
alpha: 90
beta: 101.84
gamma: 90
cell_volume: 880.372
crystal_density: 3.117
atoms_aniso_u11: UL4AAFC+AABwtwAAcLcAALiwAAC4sAAA0O0AANDtAADQ7QAAIKMAAHC3AABo+wAA8OYAAFh6AADoywAAUL4AANipAACI9AAA
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pub_title:
 Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite,
 _Li2Mg3Fe3+2Si8O22(OH)2
 Sample: 152

atoms_sites:
["LiA2", "Mg1", "Fe2+1", "Fe3+2", "Mg2", "Mg3", "Fe2+3", "Li4", "Fe2+4", "Mg4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

atoms_x:
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atoms_aniso_label:
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qdat:
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formula: Ca Al2 Si4 O15.02 H6.04
compound: <missing>
formula_title: <missing>
a: 14.7514
b: 13.0827
c: 7.5648
alpha: 90
beta: 111.997
gamma: 90
cell_volume: 1353.640
crystal_density: 2.222
atoms_sites: ["Ca", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat2", "Wat5", "Wat8"]
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atoms_aniso_u23: 0
pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = ambient

qdat:
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formula: Ca2 Al4 Si8 O33 H18
compound: <missing>
formula_title: <missing>
a: 14.8831
b: 13.1820
c: 7.5387
alpha: 90
beta: 110.181
gamma: 90
cell_volume: 1388.210
crystal_density: 2.294
atoms_x: IGsQAPCoBwAg2w4AoNgEAACaEABAVAwAoFwIAICFCQAAghQAAHECAGBtAABAlgEAQEEkAICEHgBguggA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.2 GPa

atoms_sites:
["Ca", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2", "Wat5", "Wat8"]

qdat:
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formula: Ca2 Al4 Si8 O33 H18
compound: <missing>
formula_title: <missing>
a: 14.8913
b: 13.1661
c: 7.5284
alpha: 90
beta: 110.008
gamma: 90
cell_volume: 1386.935
crystal_density: 2.296
atoms_x: 4EsQADDIBwBgyA4AgNUEAMB6EADAkgwA4HsIAABHCQDAYhQAAHECAKCMAAAAdwEAIDUZAICEHgCAiwgA
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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:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.3 GPa

atoms_sites:
["Ca", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2", "Wat5", "Wat8"]

qdat:
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formula: Ca2 Al4 Si8 O33 H18
compound: <missing>
formula_title: <missing>
a: 14.8795
b: 13.1442
c: 7.5078
alpha: 90
beta: 109.920
gamma: 90
cell_volume: 1380.515
crystal_density: 2.307
atoms_x: wHoQAODMBwDwsA4AcK4EAKAsEACgwQwAAE0IAMAnCQDAYhQAIEICAOCrAAAAAAAAoPYYAICEHgBA6QgA
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atoms_aniso_u13: 0
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pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.6 GPa

atoms_sites:
["Ca", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2", "Wat5", "Wat8"]

qdat:
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formula: Ca2 Al4 Si8 O33 H18
compound: <missing>
formula_title: <missing>
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c: 7.4774
alpha: 90
beta: 110.001
gamma: 90
cell_volume: 1368.956
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pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.1 GPa

qdat:
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formula: Ca2 Al4 Si8 O33 H18
compound: <missing>
formula_title: <missing>
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c: 7.4420
alpha: 90
beta: 110.166
gamma: 90
cell_volume: 1353.584
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pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.7 GPa

qdat:
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pub_title:
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 2.4 GPa

qdat:
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formula: Na1.896 Mn1.911 Fe P3 O12
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formula_title: <missing>
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pub_title:
 A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites
 Sample: #1, synthetic

atoms_sites:
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pub_title:
 Thermodynamic properties, low-temperature heat-capacity anomalies,
 and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6
 Note: Single-crystal X-ray diffraction refinement

qdat:
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formula: S2 Fe3 O15
compound: <missing>
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gamma: 120
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pub_title:
 Thermodynamic properties, low-temperature heat-capacity anomalies,
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 Note: Rietveld refinement of synchrotron X-ray diffraction pattern

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formula: Ca C O3
compound: <missing>
formula_title: <missing>
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pub_title:
 The vibrational spectrum of calcite (CaCO3): an ab initio
 quantum-mechanical calculation
 Note: Theoretically derived structure

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 4.2 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 10 K

qdat:
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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Note: Obvious typo in the x-coordinate of D2 corrected
 Sample: T = 20 K

qdat:
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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 30 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 40 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 50 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 60 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 70 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 80 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 90 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 100 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 125 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 150 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 175 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 200 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 225 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 250 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 275 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 300 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 325 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 350 K

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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
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 Sample: T = 375 K

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alpha: 90
beta: 116.413
gamma: 90
cell_volume: 496.649
crystal_density: 2.369
atoms_sites: ["Ca", "P", "OD1", "O2", "O3", "O4", "OD2O1", "OD2O2", "D1", "D2", "D3", "D4", "D5"]
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pub_title:
 The role of hydrogen bonding in the thermal expansion and dehydration
 of brushite, di-calcium phosphate dihydrate
 Sample: T = 400 K

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formula: Mg.932 Fe.072 Cr1.996 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-10
formula_title: <missing>
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formula: (Mg.87 Fe.13) Cr2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3379
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alpha: 90
beta: 90
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cell_volume: 579.656
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pub_title:
 Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series
 Sample: Fe2-10B

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formula: (Mg.8 Fe.2) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-30
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formula: (Mg.67 Fe.33) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-40
formula_title: <missing>
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formula: (Mg.63 Fe.37) Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3465
b: 8.3465
c: 8.3465
alpha: 90
beta: 90
gamma: 90
cell_volume: 581.451
crystal_density: 4.660
atoms_sites: ["MgA", "FeA", "CrB", "O"]
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pub_title:
 Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series
 Sample: Fe2-20B


formula: (Fe.65 Mg.35) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-60
formula_title: <missing>
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formula: (Fe.76 Mg.24) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-70
formula_title: <missing>
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formula: (Fe.87 Mg.13) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-80
formula_title: <missing>
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cell_volume: 586.587
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formula: (Fe.91 Mg.09) Cr2 O4
compound: <missing>
pub_title: Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-90
formula_title: <missing>
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formula: N D4 (Al Si3) O8
compound: <missing>
formula_title: <missing>
a: 8.79182
b: 13.11084
c: 7.20473
alpha: 90
beta: 116.097
gamma: 90
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crystal_density: 2.327
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pub_title:
 Low-temperature behaviour of ammonium ion in buddingtonite
 [N(D/H)4AlSi3O8] from neutron powder diffraction
 Sample: T = 11 K

qdat:
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pub_title:
 Low-temperature behaviour of ammonium ion in buddingtonite
 [N(D/H)4AlSi3O8] from neutron powder diffraction
 Sample: T = 210 K

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compound: <missing>
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pub_title:
 Low-temperature behaviour of ammonium ion in buddingtonite
 [N(D/H)4AlSi3O8] from neutron powder diffraction
 Sample: T = 280 K

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formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 1355.432
crystal_density: 2.566
pub_title:
 Crystal chemistry of wadsleyite II and water in the Earth's interior
 Sample: 1
 Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4

atoms_sites:
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compound: <missing>
formula_title: <missing>
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c: 8.243
alpha: 90
beta: 90
gamma: 90
cell_volume: 1364.959
crystal_density: 2.572
pub_title:
 Crystal chemistry of wadsleyite II and water in the Earth's interior
 Sample: 2
 Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4

atoms_sites:
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pub_title: Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Acuna
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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Carlton

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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Hex River Mts cl#1

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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Hex River Mts cl#2

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formula_title: <missing>
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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Hex River Mts cl#3

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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Odessa cl#1

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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Odessa cl#2

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pub_title:
 Crystal structure of meteoritic schreibersites: determination of absolute structure
 Sample: Sikhote-Alin

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compound: <missing>
formula_title: <missing>
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b: 8.7156
c: 6.5597
alpha: 90
beta: 113.797
gamma: 90
cell_volume: 369.311
crystal_density: 3.526
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0

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compound: <missing>
formula_title: <missing>
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b: 8.7378
c: 6.5754
alpha: 90
beta: 113.709
gamma: 90
cell_volume: 372.383
crystal_density: 3.574
atoms_sites: ["CaX", "TiY", "ZrY", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.1

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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 113.635
gamma: 90
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.2

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formula: Ca (Ti.71 Zr.29) Si O5
compound: <missing>
formula_title: <missing>
a: 7.1252
b: 8.7826
c: 6.6057
alpha: 90
beta: 113.553
gamma: 90
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.3

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formula: Ca (Ti.62 Zr.38) Si O5
compound: <missing>
formula_title: <missing>
a: 7.1481
b: 8.8011
c: 6.6171
alpha: 90
beta: 113.477
gamma: 90
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crystal_density: 3.697
atoms_sites: ["CaX", "TiY", "ZrY", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.4

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formula: Ca (Ti.51 Zr.49) Si O5
compound: <missing>
formula_title: <missing>
a: 7.1824
b: 8.8281
c: 6.6337
alpha: 90
beta: 113.369
gamma: 90
cell_volume: 386.119
crystal_density: 3.738
atoms_sites: ["CaX", "TiY", "ZrY", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.5

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formula: Al1.94 Fe.76 Mg.3 O4
compound: <missing>
formula_title: <missing>
a: 8.1396
b: 8.1396
c: 8.1396
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.274
crystal_density: 4.091
atoms_sites: ["AlA", "Fe2+A", "Fe3+A", "MgA", "AlB", "Fe2+B", "Fe3+B", "MgB", "O"]
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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Unannealed

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formula: Al1.94 Fe.77 Mg.29 O4
compound: <missing>
formula_title: <missing>
a: 8.1388
b: 8.1388
c: 8.1388
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.115
crystal_density: 4.100
atoms_sites: ["AlA", "Fe2+A", "Fe3+A", "MgA", "AlB", "Fe2+B", "Fe3+B", "MgB", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgAYFBAA
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgAYFBAA
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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 24 h

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formula: Al1.94 Fe.76 Mg.29 O4
compound: <missing>
formula_title: <missing>
a: 8.1384
b: 8.1384
c: 8.1384
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.035
crystal_density: 4.087
atoms_sites: ["AlA", "Fe2+A", "Fe3+A", "MgA", "AlB", "Fe2+B", "Fe3+B", "MgB", "O"]
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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 72 h

qdat:
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