# cif

formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #152, P = 8.56 GPa
formula_title: <missing>
a: 5.051
b: 5.051
c: 5.051
alpha: 90
beta: 90
gamma: 90
cell_volume: 128.864
crystal_density: 4.485
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAACAAAAAAAAAAAABAAAAAAAAAAAgAAAAAAAACAAAAAAAAEAAAAAAAAAAAAAAAIAAAAAAIAAAAAAQAAAAAEAAAAACAAAAAEAAAAAQAAAAAAAAAB==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #153, P = 7.85 GPa
formula_title: <missing>
a: 5.067
b: 5.067
c: 5.067
alpha: 90
beta: 90
gamma: 90
cell_volume: 130.093
crystal_density: 4.442
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAEAAAAAAAAAAAACAAAAAAAAAACAAAAAAAAAEAAAAAAAAQAAAAAAAAAAAAAAAgAAAAAAgAAAAACAAAAAAQAAAAAQAAAAAQAAAACAAAAAAAAAAI==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #154, P = 11.3 GPa
formula_title: <missing>
a: 5.022
b: 5.022
c: 5.022
alpha: 90
beta: 90
gamma: 90
cell_volume: 126.657
crystal_density: 4.563
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAIAAAAAAAAAAIAAAAAAAAAQAAAAAAAAQAAAAAAAAAAAAAAAgAAAAAAQAAAAABAAAAAAIAAAAAEAAAAAIAAAAAgAAAAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #155, P = 11.8 GPa
formula_title: <missing>
a: 5.009
b: 5.009
c: 5.009
alpha: 90
beta: 90
gamma: 90
cell_volume: 125.676
crystal_density: 4.598
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAIAAAAAAAAAACAAAAAAAAAEAAAAAAAAIAAAAAAAAAAAAAAAIAAAAAAEAAAAAAQAAAAACAAAAABAAAAABAAAAAEAAAAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #156, P = 12.3 GPa
formula_title: <missing>
a: 5.008
b: 5.008
c: 5.008
alpha: 90
beta: 90
gamma: 90
cell_volume: 125.601
crystal_density: 4.601
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAEAAAAAAAAAACAAAAAAAAAEAAAAAAAAIAAAAAAAAAAAAAAAIAAAAAAEAAAAAAQAAAAACAAAAAAgAAAABAAAAAEAAAAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #157, P = 13.8 GPa
formula_title: <missing>
a: 4.977
b: 4.977
c: 4.977
alpha: 90
beta: 90
gamma: 90
cell_volume: 123.283
crystal_density: 4.688
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAEAAAAAAAAAAAABAAAAAAAAAAAQAAAAAAAAAgAAAAAAAAgAAAAAAAAAAAAAAAgAAAAAAQAAAAAAgAAAAAEAAAAABAAAAACAAAAAEAAAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #158, P = 17.1 GPa
formula_title: <missing>
a: 4.951
b: 4.951
c: 4.951
alpha: 90
beta: 90
gamma: 90
cell_volume: 121.361
crystal_density: 4.762
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAABAAAAAAAAAAAAAQAAAAAAAAAACAAAAAAAAACAAAAAAAACAAAAAAAAAAAAAAACAAAAAABAAAAAACAAAAAAIAAAAAEAAAAAEAAAAAIAAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #159, P = 20.1 GPa
formula_title: <missing>
a: 4.904
b: 4.904
c: 4.904
alpha: 90
beta: 90
gamma: 90
cell_volume: 117.937
crystal_density: 4.900
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAgAAAAAAAAAAIAAAAAAAAAEAAAAAAAACAAAAAAAAAAAAAAABAAAAAAAQAAAAAAgAAAAACAAAAABAAAAAAgAAAABAAAAAA==


formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #160, P = 21.1 GPa
formula_title: <missing>
a: 4.895
b: 4.895
c: 4.895
alpha: 90
beta: 90
gamma: 90
cell_volume: 117.289
crystal_density: 4.927
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAQAAAAAAAAAAEAAAAAAAAACAAAAAAAABAAAAAAAAAAAAAAAAgAAAAAAIAAAAAAIAAAAAAgAAAAAQAAAAAIAAAAAQAAAAA==


formula: Mn O
compound: <missing>
pub_title: Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 1
formula_title: <missing>
a: 4.4449
b: 4.4449
c: 4.4449
alpha: 90
beta: 90
gamma: 90
cell_volume: 87.818
crystal_density: 5.365
atoms_sites: ["Mn", "O"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAAAAAAAAIAAAAAAAAAEAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAgAAAAAAQAAAAAAIAA==


formula: Mn O
compound: <missing>
pub_title: Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 2
formula_title: <missing>
a: 4.4446
b: 4.4446
c: 4.4446
alpha: 90
beta: 90
gamma: 90
cell_volume: 87.801
crystal_density: 5.366
atoms_sites: ["Mn", "O"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAACAAAAAAAAAAAAIAAAAAAAAAAIAAAAAAAAAEAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAgAAAAAAQAAAAAAIAA==


formula: Na2 K Li Ti2 Fe2 Si8 O24
compound: San Benito, California, USA
formula_title: <missing>
a: 16.436
b: 12.436
c: 9.966
alpha: 90
beta: 115.63
gamma: 90
cell_volume: 1836.600
crystal_density: 3.284
atoms_occupancy: 0
pub_title:
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 15 K

atoms_sites:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Ti2", "Fe2", "Si1", "Si1a", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

atoms_aniso_label:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Fe2", "Si1", "Si1a", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
AAAAAAAAAAAgAAQABAQAEAhIAAQCJFAAhiACcgjEQgOGgqXQFEXFEAa21VA9S0SLztrLvD3p/jWJZ+LCv7Vu24/+th174yvA7+C/91rsFrxaO168d/YhuN/z+sK+ODHvtL1QqM2N+PsQ+RgSW1cVwpLAALmLkgwAKQFlYB==


formula: Na2 K Li Ti2 Fe2 Si8 O24
compound: San Benito, California, USA
formula_title: <missing>
a: 16.430
b: 12.436
c: 9.963
alpha: 90
beta: 115.60
gamma: 90
cell_volume: 1835.838
crystal_density: 3.286
atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 110 K

atoms_sites:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Ti2", "Fe2", "Si1", "Si1a", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_x:

atoms_y:

atoms_z:

atoms_aniso_label:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Ti2", "Fe2", "Si1", "Si1a", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
AAAAAAAAAAAgAAQABAQAEAhIAAQCJFAAhiACcgjEQgOGgqXQFEXFEAa21VA9S0SLztrLvD3p/j2J5+LCv7Vu24/+th975yvA7+C/91rsHrzSO968d/YhuNfz+sK+ODHvtb1QqM2N6PsQ+RgSW2cVgpLAALmbkgwAKQFlYB==


formula: Na2 K Li Ti2 Fe2 Si8 O24
compound: San Benito, California, USA
formula_title: <missing>
a: 16.427
b: 12.478
c: 9.975
alpha: 90
beta: 115.56
gamma: 90
cell_volume: 1844.536
crystal_density: 3.270
atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 293 K

atoms_sites:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Ti2", "Fe2", "Si1", "Sia", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_x:

atoms_y:

atoms_z:

atoms_aniso_label:
["Na1", "Na2", "K1", "Li1", "Ti1", "Fe1", "Ti2", "Fe2", "Si1", "Sia", "Si2", "Si2a", "Si3", "Si3a", "Si4", "Si4a", "O1", "O1a", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "O5a", "O6", "O6a", "O7", "O7a", "O8", "O8a", "O9", "O9a", "O10", "O10a", "O11", "O11a", "O12", "O12a"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
AAAAAAAAAAAgAAQABAgAEAhIAAQEKFAAhEAEchGIhAMLAq9gHE6KIA1k+qA2loUT3bWS2D3hrHsLT8NG3Wnerx7ddl9/xzuB3sF/rfS4f100e71o9dLDc9/n9Q9coKXf8V0hU64f87ol4pBU6tRLBibAAbUyRBgAYgaMgC==


formula: Na2 K Li Ti2 Fe2 Si8 O24
compound: San Benito, California, USA
formula_title: <missing>
a: 16.426
b: 12.532
c: 9.995
alpha: 90
beta: 115.51
gamma: 90
cell_volume: 1856.894
crystal_density: 3.248
atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 493 K

atoms_x:

atoms_y:

atoms_z:

atoms_aniso_u11:

atoms_aniso_u22:

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atoms_aniso_u12:

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qdat:
AAAAAAAAAAAgAAQACAgAIBBQAAgEKGAAhEAIpCGJCAMLCVvAKJWMgA61+UBsrgwlWytlIPrDyPYe34UVu9Wr9jq9dV9+lHoHP4e97fvJbdxp7/Kj80uF1v+f1E3aw5c9xXTJTOh/zqhXSoGS62jMEKYAD5jREEABiBxOAQ==


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0452
b: 8.0452
c: 8.0452
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.728
crystal_density: 4.507
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_y: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_z: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_occupancy: QO8HAMAZNQAgfCIA4IwaAAAJPQA=
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atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 1

qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAABAAAAAAQAAAAAAAAgAAACAAAAAABAAACAAAAACAAAgAAAAIAAIAAAAQAAgAAAIAAgAAAQAEAAAIACAAAIAEAAAQAQAAEAEAACACAAAAEAAEAIAAIAgABAEAAQBAAIAQAAA==


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0460
b: 8.0460
c: 8.0460
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.883
crystal_density: 4.505
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_y: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_z: IKEHACChBwCAhB4AgIQeANCODwA=
atoms_occupancy: gA4IAID6NADAiyIAQH0aAAAJPQA=
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 1

qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAABAAAAAAQAAAAAAAAgAAACAAAAAABAAACAAAAACAAAgAAAAIAAIAAAAQAAgAAAIAAgAAAQAEAAAIACAAAIAEAAAgAQAAEAEAACACAAAAEAAEAIAAIAgABAIAAQBAAIAgAAA==


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0460
b: 8.0460
c: 8.0460
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.883
crystal_density: 4.505
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeABCVDwA=
atoms_y: IKEHACChBwCAhB4AgIQeABCVDwA=
atoms_z: IKEHACChBwCAhB4AgIQeABCVDwA=
atoms_occupancy: QGwIAMCcNACguiIAYE4aAAAJPQA=
atoms_u_iso: WEMAAFhDAABYQwAAWEMAAFiiAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 43h, Bayerisheches Geoinstitut (Mo), Model 1

qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAABAAAAAAQAAAAAAAAgAAACAAAAAABAAACAAAAACAAAgAAAAIAAIAAAAQAAgAAAIAAgAAAQAEAAAIACAAAIAEAAAgAQAAEAEAACACAAAAEAAEAIAAIAgABAIAAQBAAIAgAAA==


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0460
b: 8.0460
c: 8.0460
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.883
crystal_density: 4.505
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAECNDwA=
atoms_y: IKEHACChBwCAhB4AgIQeAECNDwA=
atoms_z: IKEHACChBwCAhB4AgIQeAECNDwA=
atoms_occupancy: YMAHAKBINQCwZCIAUKQaAAAJPQA=
atoms_u_iso: YDsAAGA7AABgOwAAYDsAAECmAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 1


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0468
b: 8.0468
c: 8.0468
alpha: 90
beta: 90
gamma: 90
cell_volume: 521.038
crystal_density: 4.504
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAMCZDwA=
atoms_y: IKEHACChBwCAhB4AgIQeAMCZDwA=
atoms_z: IKEHACChBwCAhB4AgIQeAMCZDwA=
atoms_occupancy: 4HsIACCNNABwwiIAkEYaAAAJPQA=
atoms_u_iso: SEkAAEhJAABISQAASEkAACiqAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1

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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1

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pub_title:
 Temperature dependence of the cation distribution in nickel
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pub_title:
 Temperature dependence of the cation distribution in nickel
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pub_title:
 Temperature dependence of the cation distribution in nickel
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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1

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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 1

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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
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 Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 950 C, held for 16h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 1

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 1


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 1


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compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 1


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 2


formula: (Ni Al2) O4
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formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 2


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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cell_volume: 520.728
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 2


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compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 2


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compound: <missing>
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 2


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compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 2


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 2


formula: (Ni Al2) O4
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formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 2

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 2

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1200 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 2


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 2


formula: (Ni Al2) O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 2


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 950 C, held for 16h, UCLA (Cu), Model 2


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compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 2


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compound: <missing>
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 2


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compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 2


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 2


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compound: <missing>
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 2


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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cell_volume: 522.088
crystal_density: 4.495
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 2

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 43d, Samples from batch of material called "1300"


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 80h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
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formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 750 C, held for 43h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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cell_volume: 520.883
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
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alpha: 90
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 850 C, held for 49h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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b: 8.0473
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alpha: 90
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cell_volume: 521.135
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 901 C, held for 16h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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alpha: 90
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 950 C, held for 16h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0488
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alpha: 90
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gamma: 90
cell_volume: 521.427
crystal_density: 4.501
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1000 C, held for 1h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0497
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alpha: 90
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gamma: 90
cell_volume: 521.602
crystal_density: 4.499
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 1h, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0504
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alpha: 90
beta: 90
gamma: 90
cell_volume: 521.738
crystal_density: 4.498
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1100 C, held for 35m, Samples from batch of material called "1300"


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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alpha: 90
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gamma: 90
cell_volume: 521.874
crystal_density: 4.497
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1150 C, held for 5m, Samples from batch of material called "1300"


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compound: <missing>
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a: 8.0517
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alpha: 90
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gamma: 90
cell_volume: 521.991
crystal_density: 4.496
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1200 C, held for 10m, Samples from batch of material called "1300"


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compound: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 522.088
crystal_density: 4.495
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1250 C, held for 10m, Samples from batch of material called "1300"


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compound: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 522.069
crystal_density: 4.495
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1300 C, held for 5m, Samples from batch of material called "1300"


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compound: <missing>
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alpha: 90
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cell_volume: 522.263
crystal_density: 4.493
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1350 C, held for 5m, Samples from batch of material called "1300"

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, "600", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 900 C, held for 10d, "600", MoKalpha1 at the Bayerisches Geoinstitut


formula: (Ni Al2) O4
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formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 35m, "600", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1349 C, held for 5m, "600", MoKalpha1 at the Bayerisches Geoinstitut


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1400 C, held for 5m, "600", MoKalpha1 at the Bayerisches Geoinstitut


formula: (Ni Al2) O4
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formula_title: NiAl2O4
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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 20d, "1400", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, "1400", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 900 C, held for 1h, "1400", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1050 C, held for 10m, "1400", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 700 C, held for 60d, "flux", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 799 C, held for 3d, "flux", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 899 C, held for 3.5h, "flux", MoKalpha1 at the Bayerisches Geoinstitut


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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 950 C, held for 4h, "flux", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1049 C, held for 30m, "flux", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 800 C, held for 11d, "1300", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: quenched from 1250 C, held for 10m, "1300", MoKalpha1 at the Bayerisches Geoinstitut

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: a summary of the models for the 1250 C, held for 10m, Mo data not corrected

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pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: a summary of the models for the 1250 C, held for 10m, Mo data background subtracted

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cell_volume: 522.224
crystal_density: 4.494
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAHCeDwA=
atoms_y: IKEHACChBwCAhB4AgIQeAHCeDwA=
atoms_z: IKEHACChBwCAhB4AgIQeAHCeDwA=
atoms_occupancy: ADUMAADUMAAAnyQAAGoYAAAJPQA=
atoms_u_iso: QGAAAEBgAACYcQAAmHEAAECrAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: a summary of the models for the 1250 C, held for 10m, Cu data not corrected


formula: (Ni Al2) O4
compound: <missing>
formula_title: NiAl2O4
a: 8.0529
b: 8.0529
c: 8.0529
alpha: 90
beta: 90
gamma: 90
cell_volume: 522.224
crystal_density: 4.494
atoms_sites: ["Ni", "Al", "Al", "Ni", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeALCkDwA=
atoms_y: IKEHACChBwCAhB4AgIQeALCkDwA=
atoms_z: IKEHACChBwCAhB4AgIQeALCkDwA=
atoms_occupancy: YB8NAKDpLwAwFCUA0PQXAAAJPQA=
atoms_u_iso: oG4AAKBuAAAAeAAAAHgAAMiWAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Temperature dependence of the cation distribution in nickel
 aluminate (NiAl2O4) spinel: a powder XRD study
 Sample: a summary of the models for the 1250 C, held for 10m, Cu data background subtracted


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.2620
b: 4.2620
c: 4.2620
alpha: 90
beta: 90
gamma: 90
cell_volume: 77.418
crystal_density: 4.540
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 300 deg C, P = .00 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAEAAAQAAAAAAAAAAAAIAAAAAAAAQABAAAAAAAAAAIAAAAAACAAAAAAAAAAAgAAAAAIAIAAAAAAAIAAAAAgAgAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1664
b: 4.1664
c: 4.1664
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.324
crystal_density: 4.860
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 300 deg C, P = 12.19 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAIAAAgAAAAAAAAAAAAEAAAAAAAAEAAEAAAAAAAAAAQAAAAAACAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAABA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.2064
b: 4.2064
c: 4.2064
alpha: 90
beta: 90
gamma: 90
cell_volume: 74.427
crystal_density: 4.723
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 483 deg C, P = 7.43 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAABAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAEAAAIAAAAAAAAAAAACAAAAAAAAEAAIAAAAAAAAAAgAAAAAAIAAAAAAAAAABAAAAAAIAIAAAAAAAEAAAAAIAQ==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1918
b: 4.1918
c: 4.1918
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.655
crystal_density: 4.772
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 483 deg C, P = 9.32 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAgAAAAAAAAAAAAAAAAAAACAAAAAAAAAAABAAAEAAAAAAAAAAAAAgAAAAAAAAgACAAAAAAAAAAIAAAAAABAAAAAAAAAAAIAAAAABABAAAAAAAAgAAAABAB==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1716
b: 4.1716
c: 4.1716
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.595
crystal_density: 4.842
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 483 deg C, P = 12.50 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAgAAAAAAAAAAAAIAAAAAAAAEAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAgAAAAAEACAAAAAAACAAAAAEA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.2002
b: 4.2002
c: 4.2002
alpha: 90
beta: 90
gamma: 90
cell_volume: 74.099
crystal_density: 4.744
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 590 deg C, P = 9.15 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAABAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAACAAAIAAAAAAAAAAAACAAAAAAAACAAEAAAAAAAAAAQAAAAAAEAAAAAAAAAAAgAAAAAEACAAAAAAACAAAAAEAI==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1952
b: 4.1952
c: 4.1952
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.834
crystal_density: 4.761
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 593 deg C, P = 9.71 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAABAAAEAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAAIAAAAAACAAAAAAAAAAAQAAAAACACAAAAAAABAAAAACAC==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1813
b: 4.1813
c: 4.1813
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.103
crystal_density: 4.808
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 593 deg C, P = 11.79 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAgAABAAAAAAAAAAAAAQAAAAAAAAQAAgAAAAAAAAACAAAAAAAQAAAAAAAAAACAAAAAAQAIAAAAAAAIAAAAAQA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1378
b: 4.1378
c: 4.1378
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.845
crystal_density: 4.962
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 593 deg C, P = 18.41 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAACAAAAAAAAAAAAAQAAAAAAAAIAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1798
b: 4.1798
c: 4.1798
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.024
crystal_density: 4.814
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 700 deg C, P = 12.25 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAgAABAAAAAAAAAAAAAQAAAAAAAAQAAgAAAAAAAAACAAAAAAAQAAAAAAAAAACAAAAAAQAIAAAAAAAEAAAAAIA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1723
b: 4.1723
c: 4.1723
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.632
crystal_density: 4.840
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 13.25 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAABAAAAAAAAAAAAAIAAAAAAAAIAAQAAAAAAAAAAgAAAAAAIAAAAAAAAAAAgAAAAAEACAAAAAAACAAAAAEA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0945
b: 4.0945
c: 4.0945
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.644
crystal_density: 5.121
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 500 deg C, P = 24.97 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAACAAAAAAAAAAAAAIAAAAAAAAEAAIAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAIAEAAAAAAACAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1718
b: 4.1718
c: 4.1718
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.606
crystal_density: 4.841
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 650 deg C, P = 12.40 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAgAAAAAAAAAAAAIAAAAAAAAEAAQAAAAAAAAAAgAAAAAAIAAAAAAAAAAAgAAAAAEACAAAAAAACAAAAAEA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1664
b: 4.1664
c: 4.1664
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.324
crystal_density: 4.860
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 14.42 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAIAAAgAAAAAAAAAAAAEAAAAAAAAEAAEAAAAAAAAAAQAAAAAACAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAABA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1574
b: 4.1574
c: 4.1574
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.856
crystal_density: 4.892
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 15.38 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAEAAAQAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAAIAAAAAABAAAAAAAAAAAEAAAAAAgAQAAAAAAAQAAAAAQ==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1626
b: 4.1626
c: 4.1626
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.126
crystal_density: 4.874
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 650 deg C, P = 14.86 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAEAAAQAAAAAAAAAAAACAAAAAAAACAAEAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABABAAAAAAAAQAAAAAg==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1847
b: 4.1847
c: 4.1847
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.281
crystal_density: 4.797
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 700 deg C, P = 12.19 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAgAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAgAACAAAAAAAAAAAAAQAAAAAAAAgABAAAAAAAAAACAAAAAAAgAAAAAAAAAAEAAAAAAgAQAAAAAAAIAAAAAgA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1858
b: 4.1858
c: 4.1858
alpha: 90
beta: 90
gamma: 90
cell_volume: 73.339
crystal_density: 4.793
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 737 deg C, P = 12.33 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAgAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAgAACAAAAAAAAAAAAAgAAAAAAAAgABAAAAAAAAAACAAAAAAAgAAAAAAAAAAEAAAAAAgAQAAAAAAAQAAAAAgB==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1786
b: 4.1786
c: 4.1786
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.961
crystal_density: 4.818
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 727 deg C, P = 13.16 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAABAAAAAAAAAAAAAIAAAAAAAAQAAgAAAAAAAAABAAAAAAAQAAAAAAAAAABAAAAAAIAIAAAAAAAEAAAAAIA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1596
b: 4.1596
c: 4.1596
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.971
crystal_density: 4.884
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 673 deg C, P = 15.54 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAEAAAQAAAAAAAAAAAACAAAAAAAABAAEAAAAAAAAAAIAAAAAABAAAAAAAAAAAEAAAAAAgAgAAAAAAAQAAAAAQ==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1192
b: 4.1192
c: 4.1192
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.894
crystal_density: 5.029
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 21.39 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAQAAAAAAAAAAAACAAAAAAAABAACAAAAAAAAAAEAAAAAAAQAAAAAAAAAACAAAAAAIAEAAAAAAABAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0702
b: 4.0702
c: 4.0702
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.429
crystal_density: 5.213
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 543 deg C, P = 30.09 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAEAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAQAAAAAAAAAAAAAgAAAAAAAAQAAgAAAAAAAAAAgAAAAAACAAAAAAAAAAAEAAAAAAQAEAAAAAAABAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0738
b: 4.0738
c: 4.0738
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.608
crystal_density: 5.199
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 565 deg C, P = 29.61 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAIAAAgAAAAAAAAAAAABAAAAAAAAAgAAgAAAAAAAAABAAAAAAACAAAAAAAAAAAEAAAAAAgAIAAAAAAACAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0764
b: 4.0764
c: 4.0764
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.738
crystal_density: 5.189
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 585 deg C, P = 28.88 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAgAAAAAAAAAAAACAAAAAAAAAgABAAAAAAAAAABAAAAAAAEAAAAAAAAAAAIAAAAAAgAQAAAAAAAEAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0857
b: 4.0857
c: 4.0857
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.202
crystal_density: 5.154
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 27.25 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAgAABAAAAAAAAAAAAAEAAAAAAAACAACAAAAAAAAAACAAAAAAAQAAAAAAAAAAAgAAAAACABAAAAAAAAQAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0920
b: 4.0920
c: 4.0920
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.518
crystal_density: 5.130
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 628 deg C, P = 26.16 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAACAAAAAAAAAAAAAIAAAAAAAAEAAEAAAAAAAAAAIAAAAAAAgAAAAAAAAAABAAAAAAEAEAAAAAAABAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1007
b: 4.1007
c: 4.1007
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.956
crystal_density: 5.098
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 654 deg C, P = 24.60 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAEAAAAAAAAAAAAAQAAAAAAAAIAAQAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAAAgAIAAAAAAAEAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1365
b: 4.1365
c: 4.1365
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.778
crystal_density: 4.966
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 745 deg C, P = 19.63 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAACAAAAAAAAAAAAAQAAAAAAAAIAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAQAAAAACAAgAAAAAAAQAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1778
b: 4.1778
c: 4.1778
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.919
crystal_density: 4.821
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 768 deg C, P = 13.42 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAABAAAAAAAAAAAAAIAAAAAAAAQAAQAAAAAAAAABAAAAAAAIAAAAAAAAAABAAAAAAIAIAAAAAAACAAAAAIA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1693
b: 4.1693
c: 4.1693
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.475
crystal_density: 4.850
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 747 deg C, P = 14.54 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAQAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAgAAAAAAAAAAAAEAAAAAAAAEAAIAAAAAAAAAAgAAAAAAEAAAAAAAAAAAgAAAAAEACAAAAAAABAAAAACA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1631
b: 4.1631
c: 4.1631
alpha: 90
beta: 90
gamma: 90
cell_volume: 72.152
crystal_density: 4.872
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 726 deg C, P = 15.17 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAIAAAQAAAAAAAAAAAACAAAAAAAACAAEAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABABAAAAAAAAQAAAAAg==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1574
b: 4.1574
c: 4.1574
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.856
crystal_density: 4.892
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 700 deg C, P = 15.99 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAEAAAQAAAAAAAAAAAABAAAAAAAABAACAAAAAAAAAAIAAAAAABAAAAAAAAAAAEAAAAAAgAQAAAAAAAQAAAAAQ==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1500
b: 4.1500
c: 4.1500
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.473
crystal_density: 4.918
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 676 deg C, P = 16.66 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAEAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAACAAAEAAAAAAAAAAAABAAAAAAAAAgABAAAAAAAAAACAAAAAAAQAAAAAAAAAACAAAAAAIAEAAAAAAACAAAAAE==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1452
b: 4.1452
c: 4.1452
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.226
crystal_density: 4.935
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 658 deg C, P = 17.23 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAEAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAABAAAEAAAAAAAAAAAAAgAAAAAAAAQAAgAAAAAAAAABAAAAAAAQAAAAAAAAAAAgAAAAAEAEAAAAAAABAAAAAC==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1358
b: 4.1358
c: 4.1358
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.742
crystal_density: 4.969
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 628 deg C, P = 18.58 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAACAAAAAAAAAAAAAIAAAAAAAAIAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAQAAAAACAAgAAAAAAAQAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1250
b: 4.1250
c: 4.1250
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.189
crystal_density: 5.008
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 20.40 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAAAgAAAAAAAAAAAAEAAAAAAAACAAEAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAQAIAAAAAAAEAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1157
b: 4.1157
c: 4.1157
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.716
crystal_density: 5.042
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 575 deg C, P = 21.79 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAQAAAAAAAAAAAABAAAAAAAAAgABAAAAAAAAAACAAAAAAAQAAAAAAAAAABAAAAAAEACAAAAAAAAgAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1080
b: 4.1080
c: 4.1080
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.325
crystal_density: 5.070
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 550 deg C, P = 23.61 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAIAAAAAAAAAAAAAgAAAAAAAAQAAgAAAAAAAAABAAAAAAAEAAAAAAAAAAAQAAAAABAAgAAAAAAAQAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0929
b: 4.0929
c: 4.0929
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.564
crystal_density: 5.127
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 528 deg C, P = 25.47 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAACAAAAAAAAAAAAAIAAAAAAAAEAAEAAAAAAAAAAIAAAAAAAgAAAAAAAAAABAAAAAAIAEAAAAAAABAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1354
b: 4.1354
c: 4.1354
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.722
crystal_density: 4.970
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 600 deg C, P = 18.73 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAACAAAAAAAAAAAAAIAAAAAAAAIAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAQAAAAABAAgAAAAAAAQAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1348
b: 4.1348
c: 4.1348
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.691
crystal_density: 4.973
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 575 deg C, P = 18.78 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAIAAIAAAAAAAAAAQAAAAAAEAAAAAAAAAAAQAAAAABAAgAAAAAAAQAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1331
b: 4.1331
c: 4.1331
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.604
crystal_density: 4.979
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 550 deg C, P = 18.75 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAIAAIAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABAAgAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1332
b: 4.1332
c: 4.1332
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.609
crystal_density: 4.978
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 528 deg C, P = 18.62 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAIAAIAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABAAgAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1312
b: 4.1312
c: 4.1312
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.506
crystal_density: 4.986
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 500 deg C, P = 18.68 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAEAAIAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAAAgAgAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1299
b: 4.1299
c: 4.1299
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.440
crystal_density: 4.990
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 473 deg C, P = 18.88 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAAEAAIAAAAAAAAAAQAAAAAABAAAAAAAAAAAEAAAAAAgAgAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1292
b: 4.1292
c: 4.1292
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.404
crystal_density: 4.993
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 447 deg C, P = 18.72 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAAEAAIAAAAAAAAAAQAAAAAABAAAAAAAAAAAEAAAAAAgAQAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1283
b: 4.1283
c: 4.1283
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.358
crystal_density: 4.996
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 427 deg C, P = 18.97 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAAEAAIAAAAAAAAAAIAAAAAABAAAAAAAAAAAEAAAAAAQAQAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1284
b: 4.1284
c: 4.1284
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.363
crystal_density: 4.996
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 397 deg C, P = 18.77 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAAEAAIAAAAAAAAAAIAAAAAABAAAAAAAAAAAEAAAAAAQAQAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1260
b: 4.1260
c: 4.1260
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.241
crystal_density: 5.004
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 373 deg C, P = 19.25 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAACAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAABAAAAAAAAAAAAAEAAAAAAAACAAEAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAQAIAAAAAAAEAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1230
b: 4.1230
c: 4.1230
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.087
crystal_density: 5.015
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 348 deg C, P = 19.55 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAQAAAgAAAAAAAAAAAACAAAAAAAACAACAAAAAAAAAAIAAAAAAAgAAAAAAAAAACAAAAAAIAIAAAAAAACAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1195
b: 4.1195
c: 4.1195
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.909
crystal_density: 5.028
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 323 deg C, P = 19.75 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAQAAAAAAAAAAAACAAAAAAAABAACAAAAAAAAAAEAAAAAAAQAAAAAAAAAACAAAAAAIAEAAAAAAABAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1194
b: 4.1194
c: 4.1194
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.904
crystal_density: 5.028
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 310 deg C, P = 19.78 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAIAAAQAAAAAAAAAAAACAAAAAAAABAACAAAAAAAAAAEAAAAAAAQAAAAAAAAAACAAAAAAIAEAAAAAAABAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1322
b: 4.1322
c: 4.1322
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.558
crystal_density: 4.982
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 402 deg C, P = 18.17 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAABAAAAAAAAAAAAAIAAAAAAAAEAAIAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAABAAgAAAAAAAIAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1373
b: 4.1373
c: 4.1373
alpha: 90
beta: 90
gamma: 90
cell_volume: 70.819
crystal_density: 4.963
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 548 deg C, P = 18.08 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAACAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAgAACAAAAAAAAAAAAAQAAAAAAAAIAAQAAAAAAAAAAgAAAAAAEAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1049
b: 4.1049
c: 4.1049
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.168
crystal_density: 5.082
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 428 deg C, P = 22.79 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAIAAAAAAAAAAAAAgAAAAAAAAQAAgAAAAAAAAAAgAAAAAAEAAAAAAAAAAAIAAAAABAAQAAAAAAAIAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0792
b: 4.0792
c: 4.0792
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.877
crystal_density: 5.179
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 353 deg C, P = 27.34 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAgAAAAAAAAAAAACAAAAAAAABAABAAAAAAAAAABAAAAAAAIAAAAAAAAAAAQAAAAABAAgAAAAAAAIAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0893
b: 4.0893
c: 4.0893
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.383
crystal_density: 5.140
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 408 deg C, P = 25.76 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAgAACAAAAAAAAAAAAAIAAAAAAAACAAEAAAAAAAAAAEAAAAAAAgAAAAAAAAAAAgAAAAAEACAAAAAAAAgAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.0956
b: 4.0956
c: 4.0956
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.699
crystal_density: 5.117
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 435 deg C, P = 24.54 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAQAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAABAAAEAAAAAAAAAAAAAIAAAAAAAAEAAIAAAAAAAAAAIAAAAAABAAAAAAAAAAACAAAAAAIAIAAAAAAACAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1006
b: 4.1006
c: 4.1006
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.951
crystal_density: 5.098
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 458 deg C, P = 23.82 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAACAAAEAAAAAAAAAAAAAQAAAAAAAAIAAQAAAAAAAAAAQAAAAAACAAAAAAAAAAAIAAAAAAgAIAAAAAAAEAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1110
b: 4.1110
c: 4.1110
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.477
crystal_density: 5.059
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 496 deg C, P = 22.22 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAEAAAQAAAAAAAAAAAABAAAAAAAAAgAAgAAAAAAAAABAAAAAAAIAAAAAAAAAAAQAAAAACABAAAAAAAAgAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1159
b: 4.1159
c: 4.1159
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.726
crystal_density: 5.041
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T = 533 deg C, P = 21.45 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAQAAAAAAAAAAAABAAAAAAAABAABAAAAAAAAAACAAAAAAAQAAAAAAAAAABAAAAAAEACAAAAAAAAgAAAA==


formula: (Mg.6 Fe.4) O
compound: <missing>
formula_title: <missing>
a: 4.1159
b: 4.1159
c: 4.1159
alpha: 90
beta: 90
gamma: 90
cell_volume: 69.726
crystal_density: 5.041
atoms_sites: ["Mg", "Fe", "O"]
atoms_x: AAAAAAAAAACAhB4A
atoms_y: AAAAAAAAAACAhB4A
atoms_z: AAAAAAAAAACAhB4A
atoms_occupancy: AJ8kAABqGAAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O
 Sample: T =  deg C, P = 21.45 GPa
 rocksalt structure

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAIAAAQAAAAAAAAAAAABAAAAAAAABAABAAAAAAAAAACAAAAAAAQAAAAAAAAAABAAAAAAEACAAAAAAAAgAAAA==


formula: Al2 (Mg.65 Fe.35) Si O7 H2
compound: <missing>
formula_title: <missing>
a: 9.434
b: 5.452
c: 18.136
alpha: 90
beta: 101.42
gamma: 90
cell_volume: 914.342
crystal_density: 3.362
atoms_x: QEIPAAAAAACAIAUAgCAFAEBCDwAAUhwAwAEHAGAmEAAwCxoAgBIYAFAaGAAAfwgAUBAJAFD9BwCgJQ0A
atoms_y: QEIPAKCSGACwhi0AsIYtABDmJwBQlxgAsPEXAKCtOQAwSRgAgLcJAJCOJwDAJjcAsIcYADCBFwBAhSEA
atoms_z: AAAAAEBCDwAQDgAAEA4AABAxDwDwgwkAIDwDANAOAwBw5gMAEHsLAABtCwBQaAsAkE8MAIAzBgBgLfr/
atoms_occupancy: AAk9AAAJPQBArCcAwFwVAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AEBeAgAQAgIA
atoms_aniso_label: ["Al1A", "Al2A", "Mg1B", "Fe1B", "Al2B", "Si", "O1A", "O1B", "O1C", "O2A", "O2B", "O2C", "O2D"]
atoms_aniso_u11: EEAAAJAzAADgRwAA4EcAAEA4AADAKwAA0GsAAJB+AABQXwAAYDsAAIA+AADQOQAAcDAAAA==
atoms_aniso_u22: kEwAAKBBAADAXQAAwF0AACA1AAAAMgAA4JIAAABkAAAQcgAAwEQAAPA8AACAPgAAgD4AAA==
atoms_aniso_u33: YFQAAGBUAAAgmQAAIJkAAIBXAAAAMgAAsE8AADBDAABgOwAAoFoAAHBiAADgYAAAMEMAAA==
atoms_aniso_u12: cP7//wAAAADA+f//wPn//6D2//9w/v//IAMAAIDz//+A8///AAAAANAHAAAAAAAAMPj//w==
atoms_aniso_u13: EA4AAOAVAABwFwAAcBcAABAOAAAgAwAAABkAANAHAAAgAwAAwBIAAOAVAACwBAAA0AcAAA==
atoms_aniso_u23: kAEAAAAAAACg9v//oPb//1D7//+QAQAAgPP//yADAABw/v//sAQAAOD8//+wBAAAcP7//w==
pub_title:
 Magnesiochloritoid: compressibility and high
 pressure structure refinement
 Sample: WRS (whole reciprocal space), P = 0.001 kbar

atoms_sites:
["Al1A", "Al2A", "Mg1B", "Fe1B", "Al2B", "Si", "O1A", "O1B", "O1C", "O2A", "O2B", "O2C", "O2D", "H1A", "H1B"]

qdat:
AAAAAAAAAAABAAAAAAAAAAKGAAIEABAAAAgJAALgUAKCCuAYJiAAVAQhYgC/NUqSUkTSwiZ0C0AhzqjIr3toHaDwgdy02OMyDj+yiTueFurDcM+OZYK9anfn/86N9a/C5uC0AKVavbWvbpVTLJXYdaBtCryuVnB8aPUKEq==


formula: Al2 (Mg.65 Fe.35) Si (O7 H2)
compound: <missing>
formula_title: <missing>
a: 9.434
b: 5.452
c: 18.136
alpha: 90
beta: 101.42
gamma: 90
cell_volume: 914.342
crystal_density: 3.362
atoms_sites: ["Al1A", "Al2A", "Mg1B", "Fe1B", "Al2B", "Si", "O-H1A", "O-H1B", "O1C", "O2A", "O2B", "O2C", "O2D"]
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pub_title:
 Magnesiochloritoid: compressibility and high
 pressure structure refinement
 Sample: LRS (limited reciprocal space), P = 0.001 kbar

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pub_title: Magnesiochloritoid: compressibility and high pressure structure refinement Sample: P = 34 kbar
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pub_title:
 A combined temperature dependent 57Fe Mossbauer and single crystal
 X-ray diffraction study of synthetic almandine: evidence for the
 Gol'danskii-Karyagin Effect
 Sample: T = 100 K

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pub_title:
 A combined temperature dependent 57Fe Mossbauer and single crystal
 X-ray diffraction study of synthetic almandine: evidence for the
 Gol'danskii-Karyagin Effect
 Sample: T = 293 K (A)

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pub_title:
 A combined temperature dependent 57Fe Mossbauer and single crystal
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 Gol'danskii-Karyagin Effect
 Sample: T = 293 K (B)

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pub_title:
 A combined temperature dependent 57Fe Mossbauer and single crystal
 X-ray diffraction study of synthetic almandine: evidence for the
 Gol'danskii-Karyagin Effect
 Sample: T = 420 K

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pub_title:
 A combined temperature dependent 57Fe Mossbauer and single crystal
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 Gol'danskii-Karyagin Effect
 Sample: T = 500 K

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compound: <missing>
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pub_title:
 Neutron powder diffraction study of the akermanite-gehlenite
 solid solution series
 Sample: 25% Ak

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pub_title:
 Neutron powder diffraction study of the akermanite-gehlenite
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 Sample: 50% Ak

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pub_title:
 Neutron powder diffraction study of the akermanite-gehlenite
 solid solution series
 Sample: 75% Ak

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pub_title:
 Neutron powder diffraction study of the akermanite-gehlenite
 solid solution series
 Sample: 100% Ak

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 293 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 433 K, P = 2 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 1 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 4 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 723 K, P = 1 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 293 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
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 Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Naturala, Fe/(Fe+Ni) = .470, T = 293 K, P = 1 GPa
 Note: structure was not refined in this study


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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Naturala, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 293 K, P = 0 GPa
 Note: structure was not refined in this study

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pub_title:
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 533 K, P = 0 GPa
 Note: structure was not refined in this study

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formula: Ca.654 Na.078 Mg.957 Fe.126 Mn.004 Al.288 Ti.01 Cr.041 Si1.863 O6
compound: sample from Pico Cabugi, Brazil
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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC126

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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC135
 Note: z-coordinate of O2 altered to match reported bond lengths

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compound: sample from Pico Cabugi, Brazil
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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC138

atoms_sites:
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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC105

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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC109

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pub_title:
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC133

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formula: Mg.338 Si.193 O H.533
compound: <missing>
pub_title: Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 1
formula_title: <missing>
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formula: Mg.361 Si.169 O H.603
compound: <missing>
pub_title: Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 2
formula_title: <missing>
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pub_title:
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe00

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pub_title:
 The effect of Fe on the crystal structure of wadsleyite
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 Sample: Fe08

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pub_title:
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe16

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pub_title:
 The effect of Fe on the crystal structure of wadsleyite
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 Sample: Fe25

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pub_title:
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe40

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 295 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 373 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 473 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 573 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 673 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 800 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 820 K
 Note: beta angle has been altered in order to reproduce bond lengths

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 840 K

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pub_title:
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
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 Sample: T = 860 K

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pub_title:
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pub_title:
 The crystal chemistry of pumpellyite: An X-ray Rietveld
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 Note: sample K1

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pub_title:
 The crystal chemistry of pumpellyite: An X-ray Rietveld
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 Note: sample BU

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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, results from data collected at UCLA (CuKalpha radiation)

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formula: Mg Cr2 O4
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formula_title: <missing>
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, results from data collected at UCLA (CuKalpha radiation)

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formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
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cell_volume: 578.822
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, results from data collected at UCLA (CuKalpha radiation)

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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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cell_volume: 577.406
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atoms_sites: ["ZnT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, results from data collected at UCLA (CuKalpha radiation)

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formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
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gamma: 90
cell_volume: 592.069
crystal_density: 5.195
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe3O4, results from data collected at UCLA (CuKalpha radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, results from data collected at BGI (MoKalpha1) radiation)

qdat:
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formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
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c: 8.3342
alpha: 90
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gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, results from data collected at BGI (MoKalpha1) radiation)

qdat:
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formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
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cell_volume: 578.822
crystal_density: 4.413
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, results from data collected at BGI (MoKalpha1) radiation)


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, results from data collected at BGI (MoKalpha1) radiation)


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
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atoms_y: IKEHAICEHgCAkw8A
atoms_z: IKEHAICEHgCAkw8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe3O4, results from data collected at BGI (MoKalpha1) radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgAg7g8A
atoms_y: IKEHAICEHgAg7g8A
atoms_z: IKEHAICEHgAg7g8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 2B model, MgCr2O4/900


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 2B model, MgCr2O4/1100

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formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
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alpha: 90
beta: 90
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cell_volume: 578.822
crystal_density: 4.413
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 2B model, MgCr2O4/1300


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 2B model, ZnCr2O4


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 2B model, Fe3O4


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1B model, MgCr2O4/900


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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atoms_z: IKEHAICEHgAQ+Q8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1B model, MgCr2O4/1100


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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atoms_y: IKEHAICEHgAw/A8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1B model, MgCr2O4/1300


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgBQ/w8A
atoms_y: IKEHAICEHgBQ/w8A
atoms_z: IKEHAICEHgBQ/w8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1B model, ZnCr2O4


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
atoms_x: IKEHAICEHgBwng8A
atoms_y: IKEHAICEHgBwng8A
atoms_z: IKEHAICEHgBwng8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1B model, Fe3O4


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBQGBAA
atoms_y: IKEHAICEHgBQGBAA
atoms_z: IKEHAICEHgBQGBAA
atoms_occupancy: 0
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 900, UCLA (CuKalpha radiation)

qdat:
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formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1000, UCLA (CuKalpha radiation)

qdat:
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formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1100, UCLA (CuKalpha radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
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c: 8.0876
alpha: 90
beta: 90
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cell_volume: 529.004
crystal_density: 4.604
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1200, UCLA (CuKalpha radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
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alpha: 90
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cell_volume: 529.161
crystal_density: 4.603
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1300, UCLA (CuKalpha radiation)

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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1400, UCLA (CuKalpha radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
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cell_volume: 528.788
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 900, BGI (MoKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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cell_volume: 528.828
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1000, BGI (MoKalpha1 radiation)

qdat:
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formula: Zn Al2 O4
compound: <missing>
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1100, BGI (MoKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
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alpha: 90
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cell_volume: 529.004
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1200, BGI (MoKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
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alpha: 90
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cell_volume: 529.161
crystal_density: 4.603
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1300, BGI (MoKalpha1 radiation)

qdat:
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formula: Zn Al2 O4
compound: <missing>
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 900, BGI (CuKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
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alpha: 90
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1000, BGI (CuKalpha1 radiation)

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formula: Zn Al2 O4
compound: <missing>
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alpha: 90
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1100, BGI (CuKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
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alpha: 90
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cell_volume: 529.004
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1200, BGI (CuKalpha1 radiation)


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1300, BGI (CuKalpha1 radiation)

qdat:
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formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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cell_volume: 528.984
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: 1200, single crystal refinement (Mo radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, MoKalpha1 radiation


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, MoKalpha1 radiation


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, MoKalpha1 radiation


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
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atoms_y: IKEHAICEHgDw9Q8A
atoms_z: IKEHAICEHgDw9Q8A
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/900, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1000, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
atoms_sites: ["ZnT", "AlM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1100, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
b: 8.0876
c: 8.0876
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.004
crystal_density: 4.604
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAAHRAA
atoms_y: IKEHAICEHgAAHRAA
atoms_z: IKEHAICEHgAAHRAA
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1200, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBwGxAA
atoms_y: IKEHAICEHgBwGxAA
atoms_z: IKEHAICEHgBwGxAA
atoms_occupancy: 0
atoms_u_iso: UEEAALguAAAQVAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1300, MoKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCwIRAA
atoms_y: IKEHAICEHgCwIRAA
atoms_z: IKEHAICEHgCwIRAA
atoms_occupancy: 0
atoms_u_iso: 8GQAADBNAAAwTQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/900, CuKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCQHhAA
atoms_y: IKEHAICEHgCQHhAA
atoms_z: IKEHAICEHgCQHhAA
atoms_occupancy: 0
atoms_u_iso: 4GoAAPhcAAAAXwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1000, CuKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCQHhAA
atoms_y: IKEHAICEHgCQHhAA
atoms_z: IKEHAICEHgCQHhAA
atoms_occupancy: 0
atoms_u_iso: GFEAAEg/AAAwTQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1100, CuKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
b: 8.0876
c: 8.0876
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.004
crystal_density: 4.604
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBwGxAA
atoms_y: IKEHAICEHgBwGxAA
atoms_z: IKEHAICEHgBwGxAA
atoms_occupancy: 0
atoms_u_iso: 8GQAADhPAAD4ZgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1200, CuKalpha1 radiation


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBwGxAA
atoms_y: IKEHAICEHgBwGxAA
atoms_z: IKEHAICEHgBwGxAA
atoms_occupancy: 0
atoms_u_iso: 8GQAAChVAADgagAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1300, CuKalpha1 radiation


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgAg7g8A
atoms_y: IKEHAICEHgAg7g8A
atoms_z: IKEHAICEHgAg7g8A
atoms_occupancy: 0
atoms_u_iso: cEkAAGg4AAAIVwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, BGI (Mo radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgCw7w8A
atoms_y: IKEHAICEHgCw7w8A
atoms_z: IKEHAICEHgCw7w8A
atoms_occupancy: 0
atoms_u_iso: qEgAALguAADoUwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, BGI (Mo radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBg9A8A
atoms_y: IKEHAICEHgBg9A8A
atoms_z: IKEHAICEHgBg9A8A
atoms_occupancy: 0
atoms_u_iso: MFwAAGA7AACYXQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, BGI (Mo radiation)


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgDw9Q8A
atoms_y: IKEHAICEHgDw9Q8A
atoms_z: IKEHAICEHgDw9Q8A
atoms_occupancy: 0
atoms_u_iso: GEIAADgxAAAwZgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, BGI (Mo radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBw6Q8A
atoms_y: IKEHAICEHgBw6Q8A
atoms_z: IKEHAICEHgBw6Q8A
atoms_occupancy: 0
atoms_u_iso: SD8AAMAXAAAYUQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, UCLA (Cu radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBw6Q8A
atoms_y: IKEHAICEHgBw6Q8A
atoms_z: IKEHAICEHgBw6Q8A
atoms_occupancy: 0
atoms_u_iso: KFUAAKAjAABoPQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, UCLA (Cu radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBw6Q8A
atoms_y: IKEHAICEHgBw6Q8A
atoms_z: IKEHAICEHgBw6Q8A
atoms_occupancy: 0
atoms_u_iso: KFUAAGgzAAAYWwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, UCLA (Cu radiation)


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgAQ+Q8A
atoms_y: IKEHAICEHgAQ+Q8A
atoms_z: IKEHAICEHgAQ+Q8A
atoms_occupancy: 0
atoms_u_iso: ME0AAGgzAACIMQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, original background


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgCA9w8A
atoms_y: IKEHAICEHgCA9w8A
atoms_z: IKEHAICEHgCA9w8A
atoms_occupancy: 0
atoms_u_iso: OEUAAJApAACIMQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, original background


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgDA/Q8A
atoms_y: IKEHAICEHgDA/Q8A
atoms_z: IKEHAICEHgDA/Q8A
atoms_occupancy: 0
atoms_u_iso: IFMAAGgzAACALwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, original background


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgDgABAA
atoms_y: IKEHAICEHgDgABAA
atoms_z: IKEHAICEHgDgABAA
atoms_occupancy: 0
atoms_u_iso: aD0AAKAjAABYOQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, original background


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
atoms_x: IKEHAICEHgBgkA8A
atoms_y: IKEHAICEHgBgkA8A
atoms_z: IKEHAICEHgBgkA8A
atoms_occupancy: 0
atoms_u_iso: KEsAAOhsAADgagAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe3O4, original background


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgDw9Q8A
atoms_y: IKEHAICEHgDw9Q8A
atoms_z: IKEHAICEHgDw9Q8A
atoms_occupancy: 0
atoms_u_iso: ME0AAHA1AAAoSwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, original background less 7 to 18 degrees 2 theta


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgCA9w8A
atoms_y: IKEHAICEHgCA9w8A
atoms_z: IKEHAICEHgCA9w8A
atoms_occupancy: 0
atoms_u_iso: GFEAAHgtAAAwTQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, original background less 7 to 18 degrees 2 theta


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgCg+g8A
atoms_y: IKEHAICEHgCg+g8A
atoms_z: IKEHAICEHgCg+g8A
atoms_occupancy: 0
atoms_u_iso: AF8AAHg3AAAgUwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, original background less 7 to 18 degrees 2 theta


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgCA9w8A
atoms_y: IKEHAICEHgCA9w8A
atoms_z: IKEHAICEHgCA9w8A
atoms_occupancy: 0
atoms_u_iso: aD0AAJgrAAAAXwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, original background less 7 to 18 degrees 2 theta


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.327
atoms_sites: ["FeT", "FeM", "O"]
atoms_x: IKEHAICEHgAQlQ8A
atoms_y: IKEHAICEHgAQlQ8A
atoms_z: IKEHAICEHgAQlQ8A
atoms_occupancy: 0
atoms_u_iso: KEsAAOBqAADYcgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe3O4, original background less 7 to 18 degrees 2 theta


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBA8Q8A
atoms_y: IKEHAICEHgBA8Q8A
atoms_z: IKEHAICEHgBA8Q8A
atoms_occupancy: 0
atoms_u_iso: KFUAAHgtAABoPQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/900, background subtracted


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3342
b: 8.3342
c: 8.3342
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.884
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgDw9Q8A
atoms_y: IKEHAICEHgDw9Q8A
atoms_z: IKEHAICEHgDw9Q8A
atoms_occupancy: 0
atoms_u_iso: OEUAAIgnAABoMwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1100, background subtracted


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3339
b: 8.3339
c: 8.3339
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.822
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgCA9w8A
atoms_y: IKEHAICEHgCA9w8A
atoms_z: IKEHAICEHgCA9w8A
atoms_occupancy: 0
atoms_u_iso: GFEAAIgxAABgOwAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4/1300, background subtracted


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgAw/A8A
atoms_y: IKEHAICEHgAw/A8A
atoms_z: IKEHAICEHgAw/A8A
atoms_occupancy: 0
atoms_u_iso: cDUAALAdAABQQQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, background subtracted


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
atoms_x: IKEHAICEHgDQjg8A
atoms_y: IKEHAICEHgDQjg8A
atoms_z: IKEHAICEHgDQjg8A
atoms_occupancy: 0
atoms_u_iso: OE8AAOhsAADAdgAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe2O4, background subtracted


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBgJhAA
atoms_y: IKEHAICEHgBgJhAA
atoms_z: IKEHAICEHgBgJhAA
atoms_occupancy: 0
atoms_u_iso: CEMAANAvAABAJAAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/900, original background


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAgIBAA
atoms_y: IKEHAICEHgAgIBAA
atoms_z: IKEHAICEHgAgIBAA
atoms_occupancy: 0
atoms_u_iso: mD8AAHgyAACoOQAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1000, original background


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAgIBAA
atoms_y: IKEHAICEHgAgIBAA
atoms_z: IKEHAICEHgAgIBAA
atoms_occupancy: 0
atoms_u_iso: EEUAAPA3AACoNAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1100, original background


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
b: 8.0876
c: 8.0876
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.004
crystal_density: 4.604
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCQHhAA
atoms_y: IKEHAICEHgCQHhAA
atoms_z: IKEHAICEHgCQHhAA
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1200, original background


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAAHRAA
atoms_y: IKEHAICEHgAAHRAA
atoms_z: IKEHAICEHgAAHRAA
atoms_occupancy: 0
atoms_u_iso: QEIAADg2AAAYRwAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1300, original background


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBgJhAA
atoms_y: IKEHAICEHgBgJhAA
atoms_z: IKEHAICEHgBgJhAA
atoms_occupancy: 0
atoms_u_iso: +D4AAEAuAABINQAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/900, background subtracted


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBAIxAA
atoms_y: IKEHAICEHgBAIxAA
atoms_z: IKEHAICEHgBAIxAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1000, background subtracted


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCwIRAA
atoms_y: IKEHAICEHgCwIRAA
atoms_z: IKEHAICEHgCwIRAA
atoms_occupancy: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1100, background subtracted


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0876
b: 8.0876
c: 8.0876
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.004
crystal_density: 4.604
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCQHhAA
atoms_y: IKEHAICEHgCQHhAA
atoms_z: IKEHAICEHgCQHhAA
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1200, background subtracted


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgCQHhAA
atoms_y: IKEHAICEHgCQHhAA
atoms_z: IKEHAICEHgCQHhAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1300, background subtracted


formula: Mg Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3341
b: 8.3341
c: 8.3341
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.863
crystal_density: 4.413
atoms_sites: ["MgT", "CrM", "O"]
atoms_x: IKEHAICEHgBA8Q8A
atoms_y: IKEHAICEHgBA8Q8A
atoms_z: IKEHAICEHgBA8Q8A
atoms_occupancy: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: MgCr2O4, preferred values of spinel structure parameters


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3271
b: 8.3271
c: 8.3271
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.406
crystal_density: 5.369
atoms_sites: ["ZnT", "CrM", "O"]
atoms_x: IKEHAICEHgBg9A8A
atoms_y: IKEHAICEHgBg9A8A
atoms_z: IKEHAICEHgBg9A8A
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnCr2O4, preferred values of spinel structure parameters


formula: Fe3 O4
compound: <missing>
formula_title: <missing>
a: 8.3970
b: 8.3970
c: 8.3970
alpha: 90
beta: 90
gamma: 90
cell_volume: 592.069
crystal_density: 5.195
atoms_sites: ["FeT", "FeM", "O"]
atoms_x: IKEHAICEHgBgkA8A
atoms_y: IKEHAICEHgBgkA8A
atoms_z: IKEHAICEHgBgkA8A
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: Fe3O4, preferred values of spinel structure parameters


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0865
b: 8.0865
c: 8.0865
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.788
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAgIBAA
atoms_y: IKEHAICEHgAgIBAA
atoms_z: IKEHAICEHgAgIBAA
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/900, preferred values of spinel structure parameters


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 4.606
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAAHRAA
atoms_y: IKEHAICEHgAAHRAA
atoms_z: IKEHAICEHgAAHRAA
atoms_occupancy: 0
atoms_u_iso: aD0AAGgzAABARwAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1000, preferred values of spinel structure parameters


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0871
b: 8.0871
c: 8.0871
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.906
crystal_density: 4.605
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAAHRAA
atoms_y: IKEHAICEHgAAHRAA
atoms_z: IKEHAICEHgAAHRAA
atoms_occupancy: 0
atoms_u_iso: aD0AAGgzAABARwAA
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1100, preferred values of spinel structure parameters


formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0976
b: 8.0976
c: 8.0976
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.969
crystal_density: 4.587
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgBwGxAA
atoms_y: IKEHAICEHgBwGxAA
atoms_z: IKEHAICEHgBwGxAA
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1200, preferred values of spinel structure parameters

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formula: Zn Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0884
b: 8.0884
c: 8.0884
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.161
crystal_density: 4.603
atoms_sites: ["ZnT", "AlM", "O"]
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pub_title:
 Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
 of the cation distribution in ZnAl2O4
 Sample: ZnAl2O4/1300, preferred values of spinel structure parameters


formula: Mg2 (Al4 Si5) O18
compound: <missing>
formula_title: <missing>
a: 9.7815
b: 9.7815
c: 9.3537
alpha: 90
beta: 90
gamma: 120
cell_volume: 775.042
crystal_density: 2.507
atoms_sites: ["MgM", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2"]
atoms_x: VVgUAICEHgCAhB4AYPwWAGD8FgDQ0B0AwAkOAA==
atoms_y: q7AoAICEHgCAhB4AcE0QAHBNEACQSxUA0OASAA==
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pub_title:
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Crystallized from glass at 1050 degrees C for 18 hours
 Note: tetrahedral site occupancies are assumed, not refined

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formula: Mg2 Al4 Si5 O18
compound: <missing>
formula_title: <missing>
a: 17.047
b: 9.7315
c: 9.3463
alpha: 90
beta: 90
gamma: 90
cell_volume: 1550.485
crystal_density: 2.506
atoms_sites: ["MgM", "AlT11", "SiT16", "SiT21", "SiT23", "AlT26", "O11", "O16", "O13", "O26", "O11", "O23"]
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pub_title:
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Crystallized from glass at 1200 degrees C for 350 hours
 Note: tetrahedral site occupancies are assumed, not refined

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pub_title:
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 2 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined

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pub_title:
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined

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formula: Mg2 Al4 Si5 O18 Bi.144
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pub_title:
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 10 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined

atoms_sites:
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formula: Cr2 Si O4
compound: <missing>
formula_title: Cr2SiO4
a: 5.702
b: 11.169
c: 9.593
alpha: 90
beta: 90
gamma: 90
cell_volume: 610.936
crystal_density: 4.263
atoms_sites: ["Cr", "Si", "O"]
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pub_title:
 Structure of Cr2SiO4 and possible metal-metal interactions in crystal and melt
 Sample: P3A, quenched from 37 kbar and 1600 deg C

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compound: <missing>
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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
 (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: alm85

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: alm10

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: and11

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: and21

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: and36,

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: and52

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pub_title:
 A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12,
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 Sample: and64

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formula: Si O2
compound: <missing>
formula_title: SiO2
a: 8.6557
b: 8.6557
c: 4.7702
alpha: 90
beta: 90
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cell_volume: 357.389
crystal_density: 2.233
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pub_title:
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 1

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formula: Si O2
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pub_title:
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 2

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formula: Si O2
compound: <missing>
formula_title: SiO2
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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 3

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pub_title:
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 4

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 5

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 6

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 7

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 8

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 9

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 10

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formula: Si O2
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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 11

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formula: Si O2
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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 12

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 13

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 14

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pub_title:
 Framework silica structures generated using simulated annealing
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pub_title:
 Framework silica structures generated using simulated annealing
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pub_title:
 Framework silica structures generated using simulated annealing
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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 18

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pub_title:
 Framework silica structures generated using simulated annealing
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pub_title:
 Framework silica structures generated using simulated annealing
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pub_title:
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 21

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 22

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pub_title:
 Framework silica structures generated using simulated annealing
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 Sample: 23

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pub_title:
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 24

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
 of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures
 Sample: 0.2, annealed at 725 degrees C for 48 hours, then quenched


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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
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 Sample: 0.4, annealed at 725 degrees C for 48 hours, then quenched

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
 of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures
 Sample: 0.6, annealed at 725 degrees C for 48 hours, then quenched


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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
 of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures
 Sample: 1.0, annealed at 725 degrees C for 48 hours, then quenched

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
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 Sample: 0.2, annealed at 1075 degrees C for 48 hours, then quenched

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
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 Sample: 0.4, annealed at 1075 degrees C for 48 hours, then quenched

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
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 Sample: 0.6, annealed at 1075 degrees C for 48 hours, then quenched

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pub_title:
 Powder XRD structure refinements and 57Fe Mossbauer effect study
 of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures
 Sample: 1.0, annealed at 1075 degrees C for 48 hours, then quenched


formula: Fe2.667 O4
compound: <missing>
formula_title: <missing>
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pub_title:
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
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 Sample: a) idealized

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pub_title:
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: b) idealized

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pub_title:
 The infrared dielectric properties of maghemite, gamma-Fe2O3,
 from reflectance measurement on pressed powders
 Sample: c) idealized, either one of Fe-oct 1-6,
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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP14

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP18

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample MP12

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Sample: SBB

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample VOL

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample BRIC

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pub_title:
 Local structural environment of calcium in garnets:
 A combined structure-refinement and XANES investigation
 Note: sample GRO

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formula: K.9 Na.07 Ba.01 Al2.8 Ti.04 Fe.08 Mg.04 Si3.04 O12 H2
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pub_title: High-pressure structural study of muscovite Sample: K-Ms, P = 2.80 GPa
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formula: Mg O2 H2
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pub_title:
 Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
 a powder neutron diffraction study
 Sample: at P = 0.0001 GPa

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pub_title:
 Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
 a powder neutron diffraction study
 Sample: at P = 7.8 GPa

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pub_title:
 Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
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 Sample: at P = 10.9 GPa

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pub_title:
 Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa:
 a powder neutron diffraction study
 Sample: at P = 10.9 GPa, split H site

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formula: Ca Fe3 Ti4 O12
compound: <missing>
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formula: Fe Ti O3
compound: <missing>
pub_title: High-pressure perovskites on the join CaTiO3-FeTiO3
formula_title: FeTiO3
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b: 5.12334
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beta: 90
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crystal_density: 4.833
atoms_sites: ["Fe", "Ti", "O"]
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formula: Mg.78 Si1.06 O3
compound: <missing>
formula_title: <missing>
a: 5.073
b: 5.073
c: 14.013
alpha: 90
beta: 90
gamma: 120
cell_volume: 312.314
crystal_density: 3.086
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pub_title:
 Phase F, a new hydrous magnesium silicate synthesized at 1000 C
 and 17 GPa: Crystal structure and estimated bulk modulus
 Note: The authors withdrew this structure, it is not Phase-F
 See PCM 24 (1997) 610

atoms_sites:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 High temperature single crystal X-ray diffraction studies
 of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
 Sample: T = 296 K

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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pub_title:
 High temperature single crystal X-ray diffraction studies
 of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
 Sample: T = 900 K

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formula: Mg Si O3
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pub_title:
 High temperature single crystal X-ray diffraction studies
 of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
 Sample: T = 1200 K

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formula: Mg Si O3
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cell_volume: 871.478
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pub_title:
 High temperature single crystal X-ray diffraction studies
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 Sample: T = 1360 K

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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b: 8.886
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gamma: 90
cell_volume: 443.235
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pub_title:
 High temperature single crystal X-ray diffraction studies
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 Sample: T = 1360 K

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formula: Mg Si O3
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pub_title:
 High temperature single crystal X-ray diffraction studies
 of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
 Sample: T = 1400 K

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formula: Ca Cl1.12 Na2.01 K.99 S.44 O13.76 Si3 Al3
compound: <missing>
pub_title: Thermal behaviour of davyne-group minerals Sample: T = 293 K
formula_title: <missing>
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b: 12.784
c: 5.346
alpha: 90
beta: 90
gamma: 120
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formula: Ca Cl1.12 Na2.01 K.99 S.44 O13.5 Si3 Al3
compound: <missing>
pub_title: Thermal behaviour of davyne-group minerals Sample: T = 943 K
formula_title: <missing>
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b: 12.871
c: 5.371
alpha: 90
beta: 90
gamma: 120
cell_volume: 770.567
crystal_density: 2.414
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formula: Si3 Na2 O7
compound: <missing>
pub_title: Soidium trisilicate: A new high-pressure silicate structure (Na2Si[Si2O7])
formula_title: Na2SiSi2O7
a: 8.922
b: 4.8490
c: 11.567
alpha: 90
beta: 102.64
gamma: 90
cell_volume: 488.293
crystal_density: 3.295
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formula: K Al Si3 O8
compound: <missing>
pub_title: Characterization of lattice strain induced by neutron irradiation Sample: Unirradiated
formula_title: <missing>
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b: 13.00492
c: 7.19238
alpha: 90
beta: 116.026
gamma: 90
cell_volume: 721.836
crystal_density: 2.561
atoms_sites: ["K", "Al1", "Si1", "Si2", "OA1", "OA2", "OB", "OC", "OD"]
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pub_title:
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pub_title:
 Characterization of lattice strain induced by neutron irradiation
 Sample: neutron dose = 1.26*10^19 n/cm2

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formula: K Cu F3
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formula: K (Cu.95 Mg.05) F3
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pub_title: A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.950
formula_title: KMg.05Cu.95F3
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formula: K (Cu.9 Mg.1) F3
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formula_title: KMg.10Cu.90F3
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formula: K (Cu.8 Mg.2) F3
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formula_title: KMg.20Cu.80F3
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formula: K (Cu.75 Mg.25) F3
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pub_title: A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.750
formula_title: KMg.25Cu.75F3
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formula: K (Cu.7 Mg.3) F3
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formula: K (Cu.575 Mg.425) F3
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pub_title: A structural phase-transition in K(Mg1-xCux)F3 perovskite Sample: x = 0.575
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formula: K (Cu.5 Mg.5) F3
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formula: K (Cu.4 Mg.6) F3
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formula_title: KMg.6Cu.4F3
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formula: K (Cu.3 Mg.7) F3
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formula: K (Cu.2 Mg.8) F3
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formula: K (Cu.1 Mg.9) F3
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formula: Si4 Al2 O17.77 Ca H9.4
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pub_title:
 The dehydration process in the zeolite laumontite:
 a real-time synchrotron X-ray powder diffraction study
 Sample: T = 310 K

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pub_title:
 The dehydration process in the zeolite laumontite:
 a real-time synchrotron X-ray powder diffraction study
 Sample: T = 367 K

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pub_title:
 The dehydration process in the zeolite laumontite:
 a real-time synchrotron X-ray powder diffraction study
 Sample: T = 425 K

atoms_sites:
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pub_title:
 The dehydration process in the zeolite laumontite:
 a real-time synchrotron X-ray powder diffraction study
 Sample: T = 500 K

atoms_sites:
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pub_title:
 The dehydration process in the zeolite laumontite:
 a real-time synchrotron X-ray powder diffraction study
 Sample: T = 584 K

atoms_sites:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.5937
b: 5.5937
c: 5.5937
alpha: 90
beta: 90
gamma: 90
cell_volume: 175.024
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 50 K, Molar volume = 26.35 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.5986
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 100 K, Molar volume = 26.42 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6071
b: 5.6071
c: 5.6071
alpha: 90
beta: 90
gamma: 90
cell_volume: 176.285
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 150 K, Molar volume = 26.54 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6162
b: 5.6162
c: 5.6162
alpha: 90
beta: 90
gamma: 90
cell_volume: 177.145
crystal_density: 2.191
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 200 K, Molar volume = 26.67 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6267
b: 5.6267
c: 5.6267
alpha: 90
beta: 90
gamma: 90
cell_volume: 178.140
crystal_density: 2.179
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 250 K, Molar volume = 26.82 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6379
b: 5.6379
c: 5.6379
alpha: 90
beta: 90
gamma: 90
cell_volume: 179.206
crystal_density: 2.166
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 300 K, Molar volume = 26.98 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6497
b: 5.6497
c: 5.6497
alpha: 90
beta: 90
gamma: 90
cell_volume: 180.333
crystal_density: 2.153
atoms_sites: ["Na", "Cl"]
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 350 K, Molar volume = 27.15 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6622
b: 5.6622
c: 5.6622
alpha: 90
beta: 90
gamma: 90
cell_volume: 181.533
crystal_density: 2.138
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 400 K, Molar volume = 27.33 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6746
b: 5.6746
c: 5.6746
alpha: 90
beta: 90
gamma: 90
cell_volume: 182.728
crystal_density: 2.124
atoms_sites: ["Na", "Cl"]
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 450 K, Molar volume = 27.51 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6869
b: 5.6869
c: 5.6869
alpha: 90
beta: 90
gamma: 90
cell_volume: 183.919
crystal_density: 2.111
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 500 K, Molar volume = 27.69 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.6999
b: 5.6999
c: 5.6999
alpha: 90
beta: 90
gamma: 90
cell_volume: 185.183
crystal_density: 2.096
atoms_sites: ["Na", "Cl"]
atoms_x: AAAAAICEHgA=
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 550 K, Molar volume = 27.88 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7135
b: 5.7135
c: 5.7135
alpha: 90
beta: 90
gamma: 90
cell_volume: 186.512
crystal_density: 2.081
atoms_sites: ["Na", "Cl"]
atoms_x: AAAAAICEHgA=
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 600 K, Molar volume = 28.08 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7277
b: 5.7277
c: 5.7277
alpha: 90
beta: 90
gamma: 90
cell_volume: 187.906
crystal_density: 2.066
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 650 K, Molar volume = 28.29 cc/mol

qdat:
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formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7425
b: 5.7425
c: 5.7425
alpha: 90
beta: 90
gamma: 90
cell_volume: 189.366
crystal_density: 2.050
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pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 700 K, Molar volume = 28.51 cc/mol

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAACAAAAAAAAAAAQAAAAAAAABAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAQAAAAAEAAAAAIAAAAAgAAAAIAAAAEAAAAEAAAAAAAABAAAAIAAACAAAAgAAAQAA==


formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7579
b: 5.7579
c: 5.7579
alpha: 90
beta: 90
gamma: 90
cell_volume: 190.894
crystal_density: 2.034
atoms_sites: ["Na", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 750 K, Molar volume = 28.74 cc/mol

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAEAAAAAAAAAAAgAAAAAAAACAAAAAAAAIAAAAAAAQAAAAAAAAAAAABAAAAAAQAAAAAgAAAACAAAAAgAAAAQAAAAgAAAAAAAAEAAAAgAAAIAAACAAACAAA==


formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7739
b: 5.7739
c: 5.7739
alpha: 90
beta: 90
gamma: 90
cell_volume: 192.490
crystal_density: 2.017
atoms_sites: ["Na", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 800 K, Molar volume = 28.98 cc/mol

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAIAAAAAAAAAABAAAAAAAAAEAAAAAAAAQAAAAAABAAAAAAAAAAAAACAAAAABAAAAACAAAAAIAAAACAAAABAAAACAAAAAAAAAgAAACAAABAAAAgAAAQAAA==


formula: Na Cl
compound: <missing>
formula_title: <missing>
a: 5.7904
b: 5.7904
c: 5.7904
alpha: 90
beta: 90
gamma: 90
cell_volume: 194.145
crystal_density: 1.999
atoms_sites: ["Na", "Cl"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Thermal expansion of alkali halides at high pressure: NaCl as an example
 Sample: T = 850 K, Molar volume = 29.23 cc/mol

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAQAAAAAAAAAACAAAAAAAAAIAAAAAAABAAAAAAACAAAAAAAAAAAAAIAAAAAEAAAAAIAAAAAgAAAAIAAAAIAAAAIAAAAAAAACAAAAQAAAEAAACAAACAAAB==


