# cif

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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 = 116 h

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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 = 212 h


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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 236 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 242 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 260 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 308 h


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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 356 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 452 h


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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 596 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 860 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 1196 h

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pub_title:
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 1842 h

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compound: <missing>
formula_title: <missing>
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pub_title:
 Incommensurate-normal phase transition in natural melilite:
 an in situ high-temperature X-ray single-crystal study
 Sample: San Venanzo, Italy; T = 298 K
 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
 an in situ high-temperature X-ray single-crystal study
 Sample: San Venanzo, Italy; T = 348 K
 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
 an in situ high-temperature X-ray single-crystal study
 Sample: San Venanzo, Italy; T = 359 K
 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
 an in situ high-temperature X-ray single-crystal study
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 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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 Sample: San Venanzo, Italy; T = 413 K
 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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 Note: xO1 and yO1 corrected by authors

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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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 Sample: San Venanzo, Italy; T = 513 K
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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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 Sample: San Venanzo, Italy; T = 573 K
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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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 Sample: San Venanzo, Italy; T = 673 K
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pub_title:
 Incommensurate-normal phase transition in natural melilite:
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pub_title:
 Schorlomite: a discussion of the crystal chemistry, formula,
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 Garnet
 Sample: Afrikanda, Kola Peninsula, Russia

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pub_title:
 Schorlomite: a discussion of the crystal chemistry, formula,
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 Garnet
 Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas

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formula: Sr Si2 O5
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pub_title: Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure
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pub_title:
 First-principles study of the electronic properties of A2B3 minerals,
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pub_title:
 First-principles study of the electronic properties of A2B3 minerals,
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 Note: Hypothetical sulphosalt structure derived from density functional theory

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pub_title:
 First-principles study of the electronic properties of A2B3 minerals,
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pub_title:
 Crystal-chemical and energetic systematics of wadeite-type phases
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 Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn:
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formula: (Zr.334 Ti.666) O2
compound: <missing>
pub_title: The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666
formula_title: <missing>
a: 4.7112
b: 5.4944
c: 4.9962
alpha: 90
beta: 90
gamma: 90
cell_volume: 129.328
crystal_density: 4.846
atoms_sites: ["ZrM", "TiM", "O"]
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formula: Sr Ti Ge O5
compound: <missing>
formula_title: SrTiOGeO4
a: 7.2252
b: 9.0754
c: 6.7851
alpha: 90
beta: 113.510
gamma: 90
cell_volume: 407.978
crystal_density: 4.691
atoms_sites: ["Sr", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr100

qdat:
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formula: Sr.923 Ca.076 Ti Ge O5
compound: <missing>
formula_title: Ca.1Sr.9TiOGeO4
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b: 9.0557
c: 6.7692
alpha: 90
beta: 113.520
gamma: 90
cell_volume: 405.394
crystal_density: 4.660
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr90

qdat:
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formula: Sr.699 Ca.3 Ti Ge O5
compound: <missing>
formula_title: Ca.3Sr.7TiOGeO4
a: 7.1916
b: 9.0134
c: 6.7387
alpha: 90
beta: 113.593
gamma: 90
cell_volume: 400.296
crystal_density: 4.542
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u23: 0
pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr70

qdat:
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formula: Sr.61 Ca.389 Ti Ge O5
compound: <missing>
formula_title: Ca.4Sr.6TiOGeO4
a: 7.1929
b: 8.9996
c: 6.7295
alpha: 90
beta: 113.647
gamma: 90
cell_volume: 399.045
crystal_density: 4.486
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u13: 0
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr60

qdat:
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formula: Sr.492 Ca.507 Ti Ge O5
compound: <missing>
formula_title: Ca.5Sr.5TiOGeO4
a: 7.1779
b: 8.9752
c: 6.7105
alpha: 90
beta: 113.658
gamma: 90
cell_volume: 395.978
crystal_density: 4.427
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u13: 0
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr50

qdat:
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formula: Sr.406 Ca.593 Ti Ge O5
compound: <missing>
formula_title: Ca.6Sr.4TiOGeO4
a: 7.1757
b: 8.9564
c: 6.6988
alpha: 90
beta: 113.708
gamma: 90
cell_volume: 394.188
crystal_density: 4.378
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr40

qdat:
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formula: Sr.286 Ca.713 Ti Ge O5
compound: <missing>
formula_title: Ca.7Sr.3TiOGeO4
a: 7.1677
b: 8.9408
c: 6.6869
alpha: 90
beta: 113.724
gamma: 90
cell_volume: 392.317
crystal_density: 4.302
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr30

qdat:
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formula: Sr.096 Ca.903 Ti Ge O5
compound: <missing>
formula_title: Ca.9Sr.1TiOGeO4
a: 7.1580
b: 8.9075
c: 6.6630
alpha: 90
beta: 113.766
gamma: 90
cell_volume: 388.806
crystal_density: 4.187
atoms_sites: ["Sr", "Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr10

qdat:
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formula: Ca Fe Si2 O6
compound: <missing>
formula_title: <missing>
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b: 9.0469
c: 5.2584
alpha: 90
beta: 104.794
gamma: 90
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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
 solid solution series by X-ray single crystal diffraction
 Sample: hd10hk1a

qdat:
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formula: Ca (Zn.211 Fe.789) Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.8605
b: 9.0304
c: 5.2690
alpha: 90
beta: 105.138
gamma: 90
cell_volume: 452.894
crystal_density: 3.668
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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
 solid solution series by X-ray single crystal diffraction
 Sample: hd8b41a

qdat:
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formula: Ca (Zn.165 Fe.835) Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.8502
b: 9.0294
c: 5.2584
alpha: 90
beta: 105.052
gamma: 90
cell_volume: 451.643
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atoms_sites: ["CaM2", "ZnM1", "FeM1", "Si", "O1", "O2", "O3"]
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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
 solid solution series by X-ray single crystal diffraction
 Sample: hd7gb21

qdat:
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formula: Ca Zn.496 Fe.504 Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.8447
b: 9.0175
c: 5.2614
alpha: 90
beta: 105.342
gamma: 90
cell_volume: 450.434
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atoms_sites: ["CaM2", "ZnM1", "FeM1", "Si", "O1", "O2", "O3"]
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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
 solid solution series by X-ray single crystal diffraction
 Sample: hd4gb31

qdat:
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compound: <missing>
formula_title: <missing>
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b: 9.0043
c: 5.2605
alpha: 90
beta: 105.435
gamma: 90
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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
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 Sample: hd3gb31

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pub_title:
 Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
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 Sample: pd9_1b

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formula: Bi2 S3
compound: Synthetic
formula_title: <missing>
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b: 3.9717
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alpha: 90
beta: 90
gamma: 90
cell_volume: 498.102
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pub_title:
 Crystal structure and cation lone electron pair activity
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 Sample: P = .0001 GPa

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formula: Bi2 S3
compound: Synthetic
formula_title: <missing>
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = .97 GPa

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formula: Bi2 S3
compound: Synthetic
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alpha: 90
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 2.43 GPa

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formula: Bi2 S3
compound: Synthetic
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 3.53 GPa

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formula: Bi2 S3
compound: Synthetic
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alpha: 90
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 5.92 GPa

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formula: Bi2 S3
compound: Synthetic
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alpha: 90
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 7.22 GPa

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formula: Bi2 S3
compound: Synthetic
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 8.30 GPa

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formula: Bi2 S3
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pub_title:
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
 Sample: P = 9.18 GPa

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formula: (Co Mg) Si O4
compound: <missing>
formula_title: CoMgSiO4
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Crystal chemistry, cation ordering and thermoelastic
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 as studied by in situ neutron powder diffraction
 Sample: T = 20 C

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formula: (Co Mg) Si O4
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pub_title:
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 300 C

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formula: (Co Mg) Si O4
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pub_title:
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 600 C

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formula: (Co Mg) Si O4
compound: <missing>
formula_title: CoMgSiO4
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alpha: 90
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pub_title:
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 800 C

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formula: (Co Mg) Si O4
compound: <missing>
formula_title: CoMgSiO4
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Crystal chemistry, cation ordering and thermoelastic
 behavior of CoMgSiO4 olivine at high temperature
 as studied by in situ neutron powder diffraction
 Sample: T = 1000 C

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formula: Mg4.88 Fe.12 Si2 O8.86 H.86 F1.14
compound: Tilly Foster Mine, Brewster, New York
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pub_title:
 High-temperature single-crystal neutron diffraction
 study of natural chondrodite
 Sample: T = 500 K

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pub_title:
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 study of natural chondrodite
 Sample: T = 700 K

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compound: Tilly Foster Mine, Brewster, New York
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pub_title:
 High-temperature single-crystal neutron diffraction
 study of natural chondrodite
 Sample: T = 900 K

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pub_title: Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1
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compound: Synthetic
pub_title: Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2
formula_title: <missing>
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c: 6.5962
alpha: 90
beta: 114.078
gamma: 90
cell_volume: 373.346
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compound: Synthetic
pub_title: Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1
formula_title: <missing>
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compound: Synthetic
pub_title: Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2
formula_title: <missing>
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compound: Synthetic
pub_title: Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3
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formula: Mg6.217 Fe.117 Si2 O14
compound: <missing>
pub_title: Crystal structure and compression of an iron-bearing Phase A to 33 GPa
formula_title: <missing>
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b: 7.8678
c: 9.5771
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beta: 90
gamma: 120
cell_volume: 513.418
crystal_density: 2.832
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formula: Al2 Si O4 F2
compound: Ouro Preto, Minas Gerias, Brazil
pub_title: Elastic behaviour and structural evolution of topaz at high pressure Sample: P = .0001 GPa
formula_title: <missing>
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formula: Al2 Si O4 F2
compound: Ouro Preto, Minas Gerias, Brazil
pub_title: Elastic behaviour and structural evolution of topaz at high pressure Sample: P = 3.14 GPa
formula_title: <missing>
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c: 8.3254
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.154
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formula: Al2 Si O4 F2
compound: Ouro Preto, Minas Gerias, Brazil
pub_title: Elastic behaviour and structural evolution of topaz at high pressure Sample: P = 5.79 GPa
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formula: Al2 Si O4 F2
compound: Ouro Preto, Minas Gerias, Brazil
pub_title: Elastic behaviour and structural evolution of topaz at high pressure Sample: P = 8.39 GPa
formula_title: <missing>
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c: 8.2316
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beta: 90
gamma: 90
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formula: Mg3 Si2 O9 H4
compound: <missing>
formula_title: <missing>
a: 5.434
b: 5.434
c: 7.153
alpha: 90
beta: 90
gamma: 120
cell_volume: 182.919
crystal_density: 2.516
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pub_title:
 Atomistic calculations of structural and elastic properties
 of serpentine minerals: the case of lizardite
 Note: 1T polytype
 Note: Hypothetical structure derived
 using semi-empirical potentials

atoms_sites:
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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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 infrared spectroscopy
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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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 infrared spectroscopy
 Sample: T = 100 C

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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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 Structural changes and oxidation of ferroan phlogopite with increasing
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 Structural changes and oxidation of ferroan phlogopite with increasing
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 Structural changes and oxidation of ferroan phlogopite with increasing
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pub_title:
 Structural changes and oxidation of ferroan phlogopite with increasing
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compound: <missing>
pub_title: The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5
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pub_title:
 Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and
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 Sample: XRD

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pub_title:
 Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and
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 Sample: SLEC

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pub_title:
 Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and
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 Sample: DFT

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pub_title: In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K
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formula: Al O2 H
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pub_title: High-pressure properties of diaspore, AlO(OH) Sample: p = 3.41 GPa
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formula: Al O2 H
compound: <missing>
pub_title: High-pressure properties of diaspore, AlO(OH) Sample: p = 4.89 GPa
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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 20 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1200 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1175 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1150 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1125 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1100 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1075 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1050 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1025 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 1000 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 975 C

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pub_title:
 High temperature structural and thermoelastic behaviour of mantle
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 Sample: T = 150 C

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = .07 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
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 Sample: P = .15 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = .78 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
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 Sample: P = 1.61 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
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 Sample: P = 2.08 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
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 Sample: P = 2.35 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
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 Sample: P = 2.44 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 3.40 GPa

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pub_title:
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 4.53 GPa

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pub_title:
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pub_title:
 Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
 Sample: Nonstoichiometric with xAl = 0.10

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pub_title:
 Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
 Sample: Stoichiometric with xAl = 0.05

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pub_title:
 Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
 Sample: Stoichiometric with xAl = 0.10

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pub_title:
 Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
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 Sample: P = 1 atm

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pub_title:
 Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
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 Sample: P = 3.6 Gpa

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pub_title:
 Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
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 Sample: P = 5.3 GPa

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pub_title:
 Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
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 Sample: P = 8.2 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
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 Sample: P = .0001 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
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 Sample: P = .16 GPa

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formula: Bi2 Pb S4
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = .60 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 1.39 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 2.97 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 4.15 GPa

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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 4.78 GPa

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formula: Bi2 Pb S4
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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 6.06 GPa

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formula: Bi2 Pb S4
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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 8.65 GPa

qdat:
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formula: Bi2 Pb S4
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pub_title:
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = 8.92 GPa

qdat:
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formula: Al1.98 Cr.02 Be O4
compound: Malyshevo near Terem Tschanka, Sverdlovsk, Ural, Russia
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pub_title:
 57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and
 electronic structure calculations on natural alexandrite
 Note: changed O1(z) from .788822 to .78822

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formula: Li Ga Si2 O6
compound: <missing>
formula_title: LiGaSi2O6
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c: 5.269
alpha: 90
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gamma: 90
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pub_title:
 Experimental multipole-refined and theoretical charge density study of
 LiGaSi2O6 clinopyroxene at ambient conditions

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formula: Ba C O3
compound: Synthetic
formula_title: <missing>
a: 5.3103
b: 8.9122
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alpha: 90
beta: 90
gamma: 90
cell_volume: 304.617
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 25 C

qdat:
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formula: Ba C O3
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alpha: 90
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cell_volume: 306.223
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 93 C

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formula: Ba C O3
compound: Synthetic
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alpha: 90
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cell_volume: 308.448
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 196 C

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formula: Ba C O3
compound: Synthetic
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alpha: 90
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cell_volume: 310.422
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 298 C

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formula: Ba C O3
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alpha: 90
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 401 C

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formula: Ba C O3
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alpha: 90
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cell_volume: 314.372
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 486 C

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gamma: 90
cell_volume: 316.862
crystal_density: 4.137
atoms_sites: ["Ba", "C", "O1", "O2"]
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 606 C

qdat:
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
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 Sample: T = 691 C

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formula: Ba C O3
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
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 Sample: T = 708 C

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formula: Ba C O3
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
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 Sample: T = 777 C

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formula: Ba C O3
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pub_title:
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
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 Sample: T = 794 C

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pub_title:
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
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 Sample: P = 0.0001 GPa, T = 293 K

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pub_title:
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
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 Sample: P = 4.99 GPa, T = 293 K

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pub_title:
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
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 Sample: P = 9.21 GPa, T = 293 K

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pub_title: Neutron diffraction study of aluminous hydroxide d-AlOOD
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pub_title:
 A powder neutron diffraction study of the crystal structure of the
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 Sample: T = 300 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 275 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 250 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 225 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 200 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 175 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 150 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 125 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 100 K

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pub_title:
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 75 K

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pub_title:
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pub_title:
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pub_title: Crystal chemical significance of chemical zoning in dissakisite-(Ce)
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pub_title:
 The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite)
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 Sample: T = 250 K

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pub_title:
 The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite)
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 Sample: T = 4.2 K

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pub_title: The crystal structure of atacamite and the crystal chemistry of cupric compounds
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compound: Kiura, Japan
pub_title: The structure of vivianite and symplesite
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pub_title: The structure of vivianite and symplesite
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pub_title: The structure of fluoborite
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formula: Ce P O4
compound: Synthetic
pub_title: X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification
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formula: Cu B (O4 Cl) H4
compound: <missing>
pub_title: The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4
formula_title: <missing>
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formula: Fe3 P2 O12 H8
compound: Ashio, Japan
pub_title: The crystal structure of ludlamite
formula_title: <missing>
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formula: K C O3
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pub_title: The crystal structure of potassium bicarbonate, KHCO3
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formula: S O2
compound: <missing>
pub_title: The crystal structure of sulfur dioxide Sample: T = -130 C
formula_title: SO2
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formula: Ca3 Si2 O10 H6
compound: Scawt Hill, Northern Ireland
pub_title: The structure of afwillite, Ca3(SiO3OH)2*2H2O
formula_title: <missing>
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formula: Ca2 Si O5
compound: synthetic Ca2SiO3OHOH
pub_title: The structure of dicalcium silicate alpha-hydrate
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formula: As S
compound: Saimoko, Japan
pub_title: The crystal structure of realgar
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formula: Ca5 Si2 C2 O13
compound: <missing>
pub_title: The crystal structure of tilleyite
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formula: Mg2 (O7 Cl) H11
compound: Synthetic
pub_title: The crystal structure of Mg2(OH)3(Cl,Br)*4H2O
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formula: Se
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formula_title: <missing>
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beta: 93.13
gamma: 90
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pub_title:
 The crystal structure of beta-selenium
 Note: structure known as beta phase
 Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246

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formula: Fe3 P2 O11 H6
compound: <missing>
formula_title: <missing>
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b: 10.152
c: 9.57
alpha: 90
beta: 90
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pub_title:
 Morphologie und struktur des reddingits, P2O5*3FeO*3H2O
 Note: z(FeII) adjusted to match symmetry constraint

atoms_sites:
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formula: K P (O4 H2)
compound: Synthetic
formula_title: <missing>
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b: 10.48
c: 6.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 757.830
crystal_density: 2.385
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pub_title:
 X-ray analysis of the ferroelectric transition in KH2PO4
 Sample: at T = 126 K
 Note: low-temperature polymorph of archerite

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formula: K P (O4 H2)
compound: synthetic, low-temperature form
pub_title: X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 116 K
formula_title: <missing>
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 Uber die verfeinerung der kristallstrukturbestimmung einiger vertreter
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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.4% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.6% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.8% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.9% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.9% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.8% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 98-99% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.7% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.9% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.8% pure

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 The crystal structures and lattice parameters of high-purity scandium,
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 Note: sample 99.4% pure

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pub_title: The crystal structure of samarium Note: sample 99% pure
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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 5 K
 Note: lattice parameters are average of 4 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 5 K
 Note: lattice parameters are average of 5 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 4 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 4 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 6 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 5 K
 Note: lattice parameters are average of 3 values

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pub_title: X-ray study of the alkali metals at low temperatures Sample: at T = 66 K
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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 3 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 5 K
 Note: lattice parameters are average of 3 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 2 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 5 K
 Note: lattice parameters are average of 4 values

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pub_title:
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 6 values

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pub_title: The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
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formula: (Ag.5 Bi.5) Se
compound: <missing>
formula_title: AgBiSe2
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b: 5.82
c: 5.82
alpha: 90
beta: 90
gamma: 90
cell_volume: 197.137
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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 Sample: pure sample

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formula: (Ag.5 Bi.5) Se
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formula_title: AgBiSe2
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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 Sample: solid solution extrapolation

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formula: (Ag.5 Bi.5) Se
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formula_title: AgBiSe2
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c: 5.887
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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 Sample: quenched from T = 300 C

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formula: Ag Bi Se2
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formula_title: AgBiSe2
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beta: 34.50
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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 Sample: quenched from T = 240 C

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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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formula: Ag Bi S2
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c: 19.06
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
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 Sample: after annealing at 152 deg C for 15 days

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formula: (Ag.5 Bi.5) S
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
 AgSbTe2, AgBiS2, AgBiSe2

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formula: (Ag.5 Bi.5) S
compound: Synthetic
formula_title: <missing>
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b: 5.682
c: 5.682
alpha: 90
beta: 90
gamma: 90
cell_volume: 183.444
crystal_density: 6.897
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
 AgSbTe2, AgBiS2, AgBiSe2
 Sample: quenched from T = 200 C

qdat:
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formula: (Ag.5 Bi.5) S
compound: Synthetic
formula_title: <missing>
a: 5.693
b: 5.693
c: 5.693
alpha: 90
beta: 90
gamma: 90
cell_volume: 184.512
crystal_density: 6.857
atoms_sites: ["Ag", "Bi", "S"]
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
 AgSbTe2, AgBiS2, AgBiSe2
 Sample: quenched from T = 243 C

qdat:
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formula: (Ag.5 Sb.5) Se
compound: <missing>
formula_title: AgSbSe2
a: 5.786
b: 5.786
c: 5.786
alpha: 90
beta: 90
gamma: 90
cell_volume: 193.703
crystal_density: 6.644
atoms_sites: ["Ag", "Sb", "Se"]
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pub_title:
 Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2,
 AgSbTe2, AgBiS2, AgBiSe2

qdat:
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compound: Synthetic
formula_title: <missing>
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b: 5.647
c: 5.647
alpha: 90
beta: 90
gamma: 90
cell_volume: 180.075
crystal_density: 5.418
atoms_sites: ["Ag", "Sb", "S"]
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formula: (Ag.5 Sb.5) Te
compound: <missing>
formula_title: AgSbTe2
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b: 6.078
c: 6.078
alpha: 90
beta: 90
gamma: 90
cell_volume: 224.534
crystal_density: 7.171
atoms_sites: ["Ag", "Sb", "Te"]
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formula: (Ag.5 Bi.5) Te
compound: <missing>
formula_title: AgBiTe2
a: 6.155
b: 6.155
c: 6.155
alpha: 90
beta: 90
gamma: 90
cell_volume: 233.176
crystal_density: 8.148
atoms_sites: ["Ag", "Bi", "Te"]
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formula: Ca B3 (O12 H13)
compound: <missing>
pub_title: Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O
formula_title: <missing>
a: 10.63
b: 12.06
c: 8.405
alpha: 90
beta: 114
gamma: 90
cell_volume: 984.348
crystal_density: 1.873
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atoms_sites:
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formula: Ca
compound: Synthetic
formula_title: <missing>
a: 5.5884
b: 5.5884
c: 5.5884
alpha: 90
beta: 90
gamma: 90
cell_volume: 174.527
crystal_density: 1.525
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pub_title:
 Coefficients of thermal expansion for face-centered cubic and
 body-centered cubic calcium
 Sample: at T = 26 C

qdat:
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formula: Ca
compound: Synthetic
formula_title: <missing>
a: 4.480
b: 4.480
c: 4.480
alpha: 90
beta: 90
gamma: 90
cell_volume: 89.915
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pub_title:
 Coefficients of thermal expansion for face-centered cubic and
 body-centered cubic calcium
 Sample: at T = 467 C

qdat:
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formula: Ca (Al2 Si2) O8
compound: <missing>
pub_title: The crystal structure of hexagonal CaAl2Si2O8
formula_title: <missing>
a: 5.10
b: 5.10
c: 14.72
alpha: 90
beta: 90
gamma: 120
cell_volume: 331.573
crystal_density: 2.787
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formula: B
compound: Synthetic
pub_title: The crystal structure of a simple rhombohedral form of boron
formula_title: <missing>
a: 4.908
b: 4.908
c: 12.567
alpha: 90
beta: 90
gamma: 120
cell_volume: 262.163
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formula: Zr O2
compound: <missing>
pub_title: The crystal structure of baddeleyite (monoclinic ZrO2)
formula_title: <missing>
a: 5.169
b: 5.232
c: 5.341
alpha: 90
beta: 99.25
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cell_volume: 142.565
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formula: Pb2 Cu21.332 S15
compound: <missing>
pub_title: Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15
formula_title: <missing>
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b: 14.67
c: 22.80
alpha: 90
beta: 90
gamma: 90
cell_volume: 1291.077
crystal_density: 5.790
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formula: Mg Al2 P2 O10 H2
compound: <missing>
pub_title: Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite
formula_title: <missing>
a: 7.16
b: 7.26
c: 7.24
alpha: 90
beta: 120.67
gamma: 90
cell_volume: 323.703
crystal_density: 3.101
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formula: Fe Al2 P2 O10 H2
compound: <missing>
pub_title: Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite
formula_title: <missing>
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formula: Zr S2 O12 H8
compound: Synthetic
pub_title: The crystal structure analysis of zirconium sulphate tetrahydrate
formula_title: <missing>
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b: 11.62
c: 5.532
alpha: 90
beta: 90
gamma: 90
cell_volume: 1666.185
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formula: Ca Mg2 Al4 Si O12 H2
compound: Chichibu mine, Japan
pub_title: The crystal structure of xanthophyllite
formula_title: <missing>
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b: 9.00
c: 9.74
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qdat:
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formula: Tl As S2
compound: <missing>
pub_title: Zur kenntnis der kristallstruktur von lorandit, TlAsS2
formula_title: <missing>
a: 12.27
b: 11.33
c: 6.11
alpha: 90
beta: 104.2
gamma: 90
cell_volume: 823.453
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formula: Li Mn P O4
compound: Synthetic
pub_title: Refinement of the structure of LiMnPO4
formula_title: <missing>
a: 6.10
b: 10.46
c: 4.744
alpha: 90
beta: 90
gamma: 90
cell_volume: 302.696
crystal_density: 3.442
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formula: Ca5 Si2 C O11
compound: contact zone at Scawt Hill, North Ireland
pub_title: The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure
formula_title: <missing>
a: 10.49
b: 6.705
c: 14.16
alpha: 90
beta: 101.317
gamma: 90
cell_volume: 976.585
crystal_density: 3.024
atoms_occupancy: 0
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atoms_sites:
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formula: Ca4 Si3 O11 H2
compound: Crestmore, California, USA
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formula: Li3 P O4
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 Die kristallstruktur von lithiumphosphat, Li3PO4
 Note: this is the quenchable high-temperature form

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pub_title: X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds
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formula: Pb5 As9 S18
compound: Binnenthal, Switzerland
formula_title: <missing>
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pub_title:
 Contribution a l'etude structurale des sulfures d'arsenic et de plomb.
 Structure de la baumhauerite

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formula_title: <missing>
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pub_title:
 Structure de la rathite II. Comparaison entre les differentes structures
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pub_title: The crystal structure of sodium bicarbonate
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pub_title:
 Precise lattice constants of germanium, aluminum, gallium arsenide, uranium,
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pub_title: The crystal structure of the zeolite, phillipsite
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formula: (Mg Ca.12 Fe.24 Al2.64) Si2 O10 H
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pub_title:
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
 (leonhardtit) und FeSO4*4H2O (rozenit)

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pub_title:
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
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formula: Ca2 Si O5 F H3
compound: Bultfontein mine, Kimberley, South Africa
pub_title: The structure of bultfonteinite, Ca4Si2O10F2H6
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pub_title:
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 Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths

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compound: Majuba Hill, Nevada, USA
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pub_title: Structure precise de l'anhydride sulfurique
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formula: Na Cl
compound: <missing>
formula_title: <missing>
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c: 5.62
alpha: 90
beta: 90
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pub_title:
 Accuracy of an automatic diffractometer. Measurement of the sodium
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 _cod_database_code 1000041

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formula_title: <missing>
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pub_title:
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compound: Lauta, Saxony, Germany
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formula: Pb8 Mn Si6 O21
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formula_title: <missing>
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pub_title:
 Etude par diffraction des rayons X et absorption infra-rouge
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formula: N Cl
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 54.0 C
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compound: Synthetic
pub_title: A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the Curie temperature
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formula: Mn (Nb Ta) O6
compound: <missing>
pub_title: Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure
formula_title: <missing>
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formula: Be
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pub_title: The electron density and bonding in beryllium metal as studied by Fourier methods
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formula: Al2 O3
compound: <missing>
pub_title: Electric field gradients and charge density in corundum alpha-Al2O3
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formula: Cu2 O
compound: Synthetic
formula_title: <missing>
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c: 4.2685
alpha: 90
beta: 90
gamma: 90
cell_volume: 77.772
crystal_density: 6.110
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pub_title:
 Accurate structure analysis with synchrotron radiation.
 The electron density in Al2O3 and Cu2O
 Note: Atomic parameters were mislabeled in the publication.
 They have been fixed in this dataset.

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formula: Al2 O3
compound: Synthetic
pub_title: Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O
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formula: Ba.4 Ti4 O8
compound: Shiti barite deposit, Ankang County, Shaanxi, China
formula_title: <missing>
a: 10.12
b: 10.12
c: 2.96
alpha: 90
beta: 90
gamma: 90
cell_volume: 303.147
crystal_density: 4.102
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pub_title:
 Direct methods in superspace. II The first application to an unknown
 incommensurate modulated structure
 Note: this is the average structure, isomorphous with hollandite
 Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra

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formula: C5
compound: Synthetic
formula_title: <missing>
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pub_title:
 Disorder and the molecular packing of C60 buckminsterfullerene:
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 Sample: room T

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compound: Synthetic
pub_title: The centrosymmetric - noncentrosymmetric ambiguity: some more examples
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compound: <missing>
pub_title: The centrosymmetric - noncentrosymmetric ambiguity: some more examples
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formula: Pt N4 C14 O2
compound: <missing>
pub_title: The centrosymmetric - noncentrosymmetric ambiguity: some more examples
formula_title: Pt(NCO)2(C12H12N2)
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formula: C9 H17 O4 P
compound: <missing>
pub_title: The centrosymmetric - noncentrosymmetric ambiguity: some more examples
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formula: Ni S O10 H12
compound: Synthetic
pub_title: Systematic intensity errors and model imperfection as the consequence of spectral truncation
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compound: Synthetic
formula_title: KClO4
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gamma: 90
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pub_title:
 An experimental (120K) and theoretical electron-density study of KMnO4 and KClO4
 Note: potassium perchlorate
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 On the crystal chemistry of salt hydrates. V. The determination of the crystal
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formula: Zn.47 Mn.25 Mg.2 Fe1.08 S2 O16 H15
compound: Rammelsberg mine near Goslar, Germany
pub_title: Die kristallstruktur des botryogens
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pub_title:
 A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate
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pub_title:
 A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate
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formula: As2 (O9 H8)
compound: <missing>
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formula: Na2 Si2 O5
compound: <missing>
pub_title: A reconsideration of the crystal structure of beta-Na2Si2O5
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formula: Ca (Cu2.64 Zn1.36) S2 O17 H12
compound: Laurion mine, Greece
pub_title: The crystal structure of serpierite
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compound: Fort Dauphin, Madagascar
pub_title: The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
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compound: <missing>
formula_title: <missing>
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pub_title:
 The crystal structure of gamma-Hg3S2Cl2
 Sample: one-layer structure used for interatomic functions

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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 712.391
crystal_density: 6.870
atoms_sites: ["Hg1", "Hg2", "Hg3", "S", "Cl1a", "Cl1b", "Cl2a", "Cl2b"]
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pub_title:
 The crystal structure of gamma-Hg3S2Cl2
 Sample: one-layer structure derived from superposition structure

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formula: Hg1.5 S Cl
compound: <missing>
pub_title: The crystal structure of gamma-Hg3S2Cl2 Sample: superposition structure
formula_title: <missing>
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formula: Na B F4
compound: Synthetic
pub_title: Refinement of the structure of NaBF4
formula_title: <missing>
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formula: Ga
compound: Synthetic
formula_title: <missing>
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b: 8.053
c: 3.332
alpha: 90
beta: 92.02
gamma: 90
cell_volume: 74.173
crystal_density: 6.244
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pub_title:
 Structure cristalline du gallium-beta
 Sample: at T = 248.15 K
 Note: structure known as beta phase

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formula: Fe7 Si O10
compound: <missing>
pub_title: The crystal structure of an iron silicate, iscorite
formula_title: Fe7SiO10
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c: 5.88
alpha: 90
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cell_volume: 381.299
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formula: Ca5 P3 O13 H
compound: Holly Springs, Cherokee County, Georgia, USA
pub_title: Significant precision in crystal structural details: Holly Springs hydroxyapatite Sample: X-23-4
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formula: Ca5 P3 O13 H
compound: Holly Springs, Cherokee County, Georgia, USA
formula_title: <missing>
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beta: 90
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pub_title:
 Significant precision in crystal structural details: Holly Springs
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 Sample: X-23-10

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formula_title: <missing>
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pub_title:
 Significant precision in crystal structural details: Holly Springs
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 Sample: Neutron

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formula: Fe2 Te4 O12 Cl
compound: Almeria, Spain
formula_title: <missing>
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b: 5.08
c: 6.63
alpha: 103.17
beta: 107.08
gamma: 77.87
cell_volume: 275.366
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pub_title:
 Determination et etude de la structure cristalline de la rodalquilarite,
 chlorotellurite acide de fer

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formula: Ca3 Mn S C O25 H30
compound: Tachgagalt mine, Morocco
formula_title: <missing>
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b: 11.06
c: 10.50
alpha: 90
beta: 90
gamma: 120
cell_volume: 1112.321
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pub_title:
 Determination et etude de la structure cristalline
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formula: K B F4
compound: <missing>
pub_title: The crystal structure of KBF4
formula_title: <missing>
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c: 7.0299
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formula: N B5 O10 H4
compound: Synthetic
pub_title: The crystal structure of lardellite, NH4B5O7(OH)2*H2O
formula_title: <missing>
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c: 11.65
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formula: Al2.71 Mg.45 Fe.15 Ca1.9 Si2.79 O14 H3
compound: <missing>
pub_title: On the crystal structure of pumpellyite
formula_title: <missing>
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formula: Na2 C O13 H20
compound: Synthetic
pub_title: Crystal structure of Na2CO3*10H2O
formula_title: <missing>
a: 12.83
b: 9.026
c: 13.44
alpha: 90
beta: 123.0
gamma: 90
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formula: Al2 Ca6 O49.68 S3 H63.36
compound: Scawt Hill, Northern Ireland
pub_title: Crystal structure of ettringite
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formula: Ca2 As2 O8 H2
compound: Synthetic
pub_title: The crystal structure of CaHAsO4 (weilite)
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compound: Synthetic
pub_title: The crystal structures of the rare earth pyrosilicates
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formula: Er2 Si2 O7
compound: <missing>
pub_title: The crystal structures of the rare earth pyrosilicates
formula_title: Er2Si2O7
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compound: <missing>
pub_title: The crystal structures of the rare earth pyrosilicates
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pub_title: The crystal structures of the rare earth pyrosilicates
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