# cif

formula: Na1.47 Ca.98 Mg5 (Si3.88 Ge4.12) O24 H2
compound: <missing>
formula_title: <missing>
a: 10.1237
b: 18.147
c: 5.3386
alpha: 90
beta: 105.067
gamma: 90
cell_volume: 947.063
crystal_density: 3.467
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pub_title:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: Ge4Ri, Si48Ge52

atoms_sites:
["NaA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Si1", "Ge1", "Si2", "Ge2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]

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formula: Na1.58 Ca.88 Mg5 (Si1.92 Ge6.08) O24 H2
compound: <missing>
formula_title: <missing>
a: 10.2255
b: 18.2144
c: 5.3683
alpha: 90
beta: 105.555
gamma: 90
cell_volume: 963.232
crystal_density: 3.705
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pub_title:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: Ge6Ri, Si24Ge76

atoms_sites:
["NaA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Si1", "Ge1", "Si2", "Ge2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]

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formula: Na1.62 Ca.84 Mg5 Ge8 O24 H2
compound: <missing>
formula_title: <missing>
a: 10.3244
b: 18.282
c: 5.3994
alpha: 90
beta: 106.015
gamma: 90
cell_volume: 979.587
crystal_density: 3.930
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pub_title:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: Ge8Ri, Si0Ge100

atoms_sites:
["NaA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Ge1", "Ge2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]

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formula: As9.3 Sb.7 S14
compound: <missing>
formula_title: <missing>
a: 25.262
b: 14.563
c: 6.492
alpha: 90
beta: 90
gamma: 90
cell_volume: 2388.345
crystal_density: 3.423
pub_title:
 Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning,
 and revised chemical formula
 Sample: White Caps Mine, Nevada

atoms_sites:
["As1", "Sb1", "As2", "As3", "Sb3", "As4", "Sb4", "As5", "Sb5", "As6", "Sb6", "As7", "As8", "As9", "As10", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12", "S13", "S14"]

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formula: Na Al Si3 O8
compound: <missing>
pub_title: Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 6.489 GPa
formula_title: <missing>
a: 7.7176
b: 12.5592
c: 7.0113
alpha: 93.963
beta: 117.177
gamma: 88.132
cell_volume: 603.111
crystal_density: 2.888
atoms_sites: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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formula: Na Al Si3 O8
compound: <missing>
pub_title: Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 8.411 GPa
formula_title: <missing>
a: 7.5713
b: 12.5170
c: 6.9697
alpha: 93.797
beta: 117.448
gamma: 87.508
cell_volume: 584.814
crystal_density: 2.978
atoms_sites: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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formula: Na Al Si3 O8
compound: <missing>
pub_title: Compression of albite, NaAlSi3O8 Sample: Amelia Court House, Virginia locality P = 9.431 GPa
formula_title: <missing>
a: 7.5028
b: 12.4933
c: 6.9463
alpha: 93.903
beta: 117.791
gamma: 86.786
cell_volume: 574.453
crystal_density: 3.032
atoms_sites: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3291
b: 8.3291
c: 8.3291
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.822
crystal_density: 5.365
atoms_sites: ["Zn", "Cr", "O"]
atoms_x: IKEHAICEHgCgRRAA
atoms_y: IKEHAICEHgCgRRAA
atoms_z: IKEHAICEHgCgRRAA
atoms_occupancy: 0
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 298 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
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b: 8.3330
c: 8.3330
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.634
crystal_density: 5.358
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 393 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3391
b: 8.3391
c: 8.3391
alpha: 90
beta: 90
gamma: 90
cell_volume: 579.906
crystal_density: 5.346
atoms_sites: ["Zn", "Cr", "O"]
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atoms_y: IKEHAICEHgBgPxAA
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 463 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3456
b: 8.3456
c: 8.3456
alpha: 90
beta: 90
gamma: 90
cell_volume: 581.263
crystal_density: 5.334
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 613 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3519
b: 8.3519
c: 8.3519
alpha: 90
beta: 90
gamma: 90
cell_volume: 582.580
crystal_density: 5.322
atoms_sites: ["Zn", "Cr", "O"]
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atoms_y: IKEHAICEHgCAKRAA
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atoms_occupancy: 0
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 702 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3588
b: 8.3588
c: 8.3588
alpha: 90
beta: 90
gamma: 90
cell_volume: 584.026
crystal_density: 5.308
atoms_sites: ["Zn", "Cr", "O"]
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atoms_y: IKEHAICEHgAgIBAA
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atoms_occupancy: 0
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 788 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3654
b: 8.3654
c: 8.3654
alpha: 90
beta: 90
gamma: 90
cell_volume: 585.410
crystal_density: 5.296
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 901 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3716
b: 8.3716
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alpha: 90
beta: 90
gamma: 90
cell_volume: 586.713
crystal_density: 5.284
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 994 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3777
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alpha: 90
beta: 90
gamma: 90
cell_volume: 587.996
crystal_density: 5.273
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 1072 K

qdat:
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formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3834
b: 8.3834
c: 8.3834
alpha: 90
beta: 90
gamma: 90
cell_volume: 589.197
crystal_density: 5.262
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 1162 K


formula: Zn Cr2 O4
compound: <missing>
formula_title: <missing>
a: 8.3880
b: 8.3880
c: 8.3880
alpha: 90
beta: 90
gamma: 90
cell_volume: 590.167
crystal_density: 5.253
atoms_sites: ["Zn", "Cr", "O"]
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pub_title:
 P-V equation of state, thermal expansion, and P-T stability of
 synthetic zincochromite (ZnCr2O4 spinel)
 Sample: T = 1236 K


formula: Mg1.47 Fe1.71 Mn.01 Al1.89 Li1.88 Na.04 K.01 Si8 O23.97 F.03 H3.94
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Greenbushes, W Australia

atoms_sites:
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compound: <missing>
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: HS 119915 Siberia

atoms_sites:
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Siberia

atoms_sites:
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Rwanda

atoms_sites:
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compound: <missing>
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Zaire

atoms_sites:
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atoms_aniso_u22: 0
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Uto, Sweden

atoms_sites:
["Mg1", "Fe1", "Mn1", "Al2", "Fe3+2", "Fe++2", "Zn2", "Mg3", "Fe3", "Li3", "Li4", "Na4", "NaA", "Si1A", "Si1B", "Si2A", "Si2B", "O1A", "O1B", "O2A", "O2B", "O-H3A", "F3A", "O-H3B", "F3B", "O4A", "O4B", "O5A", "O5B", "O6A", "O6B", "O7A", "O7B", "HA", "HB"]

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formula: Mg2.42 Fe1.26 Mn.04 Al1.33 Zn.01 Li1.93 Na.05 Si8 O23.9 F.1 H3.8
compound: <missing>
formula_title: <missing>
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b: 17.693
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beta: 90
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cell_volume: 1711.472
crystal_density: 3.086
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pub_title:
 The crystal-chemistry of holmquistites: Ferroholmquistite from
 Greenbushes (Western Australia) and
 hints for compositional constraints in B-Li amphiboles
 Sample: Norway

atoms_sites:
["Mg1", "Fe1", "Mn1", "Al2", "Fe3+2", "Fe++2", "Mg2", "Zn2", "Mg3", "Fe3", "Li4", "Mg4", "Na4", "NaA", "Si1A", "Si1B", "Si2A", "Si2B", "O1A", "O1B", "O2A", "O2B", "O-H3A", "F3A", "O-H3B", "F3B", "O4A", "O4B", "O5A", "O5B", "O6A", "O6B", "O7A", "O7B", "HA", "HB"]

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formula: Na5.67 Si18 O47.48 H22.96
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Mazzite-Na, a new zeolite from Boron, California:
 Its description and crystal structure
 Sample: US Borax Mine, Boron, Ca

atoms_sites:
["Na1", "Na2", "Na3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "Wat1", "Wat2", "Wat2A", "Wat3", "Wat5", "Wat6", "Wat7", "Wat8"]

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formula: Ca.36 Na.56 Mg.81 Si2.27 O6
compound: <missing>
pub_title: Crystal chemistry of a high-pressure C2/c clinopyroxene with six-coordinated silicon
formula_title: (Ca.36 Na.56 Mg.08)(Mg.73 Si.27)Si2O6
a: 9.5792
b: 8.7588
c: 5.2610
alpha: 90
beta: 107.199
gamma: 90
cell_volume: 421.672
crystal_density: 3.257
atoms_sites: ["Ca2", "Na2", "Mg2", "Mg1", "Si1", "Si", "O1", "O2", "O3"]
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formula: Cu1.375 Fe.275 S
compound: <missing>
formula_title: <missing>
a: 21.88
b: 21.88
c: 21.88
alpha: 90
beta: 90
gamma: 90
cell_volume: 10474.708
crystal_density: 5.471
atoms_aniso_label: "<missing>"
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pub_title:
 High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a
 superstructure of bornite Cu5FeS4
 Sample: 4a-1 superstructure model
 Note: Occupancies calculated assuming complete Cu-Fe disorder

atoms_sites:
["Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "Cu", "Fe", "S", "S", "S", "S", "S", "S", "S", "S"]

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formula: Cu2 Fe S2
compound: <missing>
formula_title: <missing>
a: 10.70
b: 10.70
c: 10.70
alpha: 90
beta: 90
gamma: 90
cell_volume: 1225.043
crystal_density: 5.358
atoms_sites: ["Cu", "Cu", "Fe", "S", "S", "S"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
 Sample: 2a Cu(anti) superstructure model, alternative 1

qdat:
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formula: Cu2 Fe S2
compound: <missing>
formula_title: <missing>
a: 10.70
b: 10.70
c: 10.70
alpha: 90
beta: 90
gamma: 90
cell_volume: 1225.043
crystal_density: 5.358
atoms_sites: ["Cu", "Cu", "Fe", "S", "S", "S"]
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atoms_aniso_u13: 0
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pub_title:
 Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
 Sample: 2a Cu(anti) superstructure model, alternative 2

qdat:
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formula: Cu2 Fe S2
compound: <missing>
formula_title: <missing>
a: 10.71
b: 10.71
c: 10.71
alpha: 90
beta: 90
gamma: 90
cell_volume: 1228.481
crystal_density: 5.343
atoms_sites: ["Cu", "Cu", "Fe", "S", "S", "S"]
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pub_title:
 Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
 Sample: 2a CuFe(anti) superstructure model, alternative 1
 Note: Energetically preferred model

qdat:
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formula: Cu2 Fe S2
compound: <missing>
formula_title: <missing>
a: 10.71
b: 10.71
c: 10.71
alpha: 90
beta: 90
gamma: 90
cell_volume: 1228.481
crystal_density: 5.343
atoms_sites: ["Cu", "Cu", "Fe", "S", "S", "S"]
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pub_title:
 Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
 Sample: 2a CuFe(anti) superstructure model, alternative 2
 Note: Energetically preferred model

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formula: Fe.202 Mn.767 Ti.036 Sc.001 Ca.001 Sn.001 Nb1.91 Ta.08 W.002 O6
compound: <missing>
formula_title: <missing>
a: 14.2877
b: 5.7363
c: 5.0561
alpha: 90
beta: 90
gamma: 90
cell_volume: 414.391
crystal_density: 5.508
atoms_sites: ["FeA", "MnA", "TiA", "ScA", "CaA", "SnA", "NbB", "TaB", "TiB", "WB", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil

qdat:
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formula: Fe.462 Mn.476 Sc.045 Ti.116 Sn.004 Ca.001 Nb1.806 Ta.086 W.004 O6
compound: <missing>
formula_title: <missing>
a: 14.3267
b: 5.7392
c: 5.0674
alpha: 90
beta: 90
gamma: 90
cell_volume: 416.661
crystal_density: 5.422
atoms_sites: ["FeA", "MnA", "ScA", "TiA", "SnA", "CaA", "NbB", "TaB", "TiB", "WB", "O1", "O2", "O3"]
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar

qdat:
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compound: <missing>
formula_title: <missing>
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b: 5.7415
c: 5.0665
alpha: 90
beta: 90
gamma: 90
cell_volume: 417.240
crystal_density: 5.480
atoms_sites: ["FeA", "MnA", "TiA", "SnA", "CaA", "NbB", "TaB", "TiB", "WB", "O1", "O2", "O3"]
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n3p Qm=1 from Kragero, Norway

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 600 C for t = 20 m
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 650 C for t = 20 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 650 C for t = 200 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 700 C for t = 5 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 700 C for t = 20 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 800 C for t = 7 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 800 C for t = 40 m
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 950 C for t = 3 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.565 from Kragero, Norway
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.674 from Kragero, Norway
 Sample: Annealed at T = 500 C for t = 15 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.742 from Kragero, Norway
 Sample: Annealed at T = 530 C for t = 92 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.817 from Kragero, Norway
 Sample: Annealed at T = 600 C for t = 67 h
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.844 from Kragero, Norway
 Sample: Annealed at T = 600 C for t = 177 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.922 from Kragero, Norway
 Sample: Annealed at T = 700 C for t = 20 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=0.960 from Kragero, Norway
 Sample: Annealed at T = 800 C for t = 15 m
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pub_title:
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: KRA n4 Qm=1 from Kragero, Norway
 Sample: Annealed at T = 800 C for t = 24 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder

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formula: Mg Si O3
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pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa
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formula: Mg Si O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 2.5 GPa
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compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.7 GPa
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formula: Mg Si O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 7.8 GPa
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compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa
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formula: Mg Ge O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 1.8 GPa
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formula: Mg Ge O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 4.7 GPa
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formula: Mg Ge O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa
formula_title: MgGeO3
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formula: Mg Ge O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 9.3 GPa
formula_title: MgGeO3
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formula: Mg Ti O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa
formula_title: MgTiO3
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gamma: 120
cell_volume: 307.435
crystal_density: 3.895
atoms_sites: ["Mg", "Ti", "O"]
atoms_x: AAAAAAAAAADwRxMA
atoms_y: AAAAAAAAAACgVAEA
atoms_z: uLQVAADZCAAoCg8A
atoms_occupancy: 0
atoms_u_iso: 4GoAABhRAADwZAAA
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:
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formula: Mg Ti O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 3.1 GPa
formula_title: MgTiO3
a: 5.028
b: 5.028
c: 13.79
alpha: 90
beta: 90
gamma: 120
cell_volume: 301.915
crystal_density: 3.966
atoms_sites: ["Mg", "Ti", "O"]
atoms_x: AAAAAAAAAABwVBMA
atoms_y: AAAAAAAAAADgWgEA
atoms_z: gLoVAPDUCAAQGA8A
atoms_occupancy: 0
atoms_u_iso: 2HIAAGg9AAD4ZgAA
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
qdat:
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formula: Mg Ti O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.8 GPa
formula_title: MgTiO3
a: 5.006
b: 5.006
c: 13.689
alpha: 90
beta: 90
gamma: 120
cell_volume: 297.087
crystal_density: 4.031
atoms_sites: ["Mg", "Ti", "O"]
atoms_x: AAAAAAAAAAAAPRMA
atoms_y: AAAAAAAAAADgWgEA
atoms_z: 8LgVAFDeCACgGQ8A
atoms_occupancy: 0
atoms_u_iso: AF8AAIgxAAA4TwAA
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
qdat:
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formula: Mg Ti O3
compound: <missing>
pub_title: Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa
formula_title: MgTiO3
a: 4.992
b: 4.992
c: 13.609
alpha: 90
beta: 90
gamma: 120
cell_volume: 293.701
crystal_density: 4.077
atoms_sites: ["Mg", "Ti", "O"]
atoms_x: AAAAAAAAAADwLhMA
atoms_y: AAAAAAAAAADwNgEA
atoms_z: gLoVAGDTCAAQGA8A
atoms_occupancy: 0
atoms_u_iso: 6GIAAOgDAAAQWQAA
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:
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formula: Ca Ti Ge O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.158
b: 8.885
c: 6.649
alpha: 90
beta: 113.834
gamma: 90
cell_volume: 386.806
crystal_density: 4.131
atoms_sites: ["Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: wNEOABCAHwBgpC0AoMMtAGAXOABAtgQAYPYXAHAzJQA=
atoms_y: 8LkZAJCIDwDgcxoAMGcTABDnEgDgmwsAAO4bABCxAgA=
atoms_z: 8EYPAEC6LQDwLQ8AsNEtAJDDGgAghwMAYDInAPBJNAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ca", "Ti", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_aniso_u11: 4PYAAHBJAACQTAAAsE8AAPCgAADgkgAA0IQAAECDAAA=
atoms_aniso_u22: 8G4AAIBXAADwVQAAoHMAAHCUAABAnAAAgHAAAIBwAAA=
atoms_aniso_u33: IGcAABBAAADwPAAAAJYAABBZAACAVwAAIIAAAOB5AAA=
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atoms_aniso_u23: KAAAAOD8//8Q////cP7//yAcAADQIAAA8AoAAGAJAAA=
pub_title:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: Single crystal CaTiOGeO4

qdat:
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formula: Ca Ti Ge.901 Si.098 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.14287
b: 8.87820
c: 6.64268
alpha: 90
beta: 113.833
gamma: 90
cell_volume: 385.330
crystal_density: 4.070
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: AHQOADC7HgCgeC0AoHgtAODPLABAwzgAMNQFAKDEGACwtiUA
atoms_y: EKQZAKCDDgBAZBoAQGQaALCMEwAwVBIAsLwLADC0GwDQLQIA
atoms_z: sMMOAICnLQAAoA8AAKAPAJCcLQDg0RsAYB0FACATJwDg6jQA
atoms_occupancy: AAk9AAAJPQAg/jYAQPsFAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: IMsAAMDaAABg6gAAYOoAAGBtAABgbQAAYG0AAGBtAABgbQAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #95, CaTiO(Ge.90Si.10)O4

qdat:
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formula: Ca Ti Ge.871 Si.128 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.13460
b: 8.87346
c: 6.63886
alpha: 90
beta: 113.738
gamma: 90
cell_volume: 384.738
crystal_density: 4.053
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: IBMOALDHHgBg9SwAYPUsAAAeLQBwHzkAAMMFAOBgGQCQEScA
atoms_y: wI8ZACBFDgBwdRoAcHUaABCWEwDwLhMAUN8MABB/GwBw8gEA
atoms_z: wJ8OAOB+LQAAbg8AAG4PAICOLQAwfBwAgIQFAOAfKAAQDzYA
atoms_occupancy: AAk9AAAJPQBgKTUAANAHAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 4C4AACDLAAAAfQAAAH0AAGBtAABgbQAAYG0AAGBtAABgbQAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #90, CaTiO(Ge.87Si.13)O4

qdat:
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formula: Ca Ti Ge.678 Si.321 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.11815
b: 8.83215
c: 6.61777
alpha: 90
beta: 113.767
gamma: 90
cell_volume: 380.765
crystal_density: 3.946
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: cCEPAGD+HgCwuC0AsLgtAPAoLQBAeDgAcKgFAADtFwDAeSUA
atoms_y: kJcZAJDZDgAwbxoAMG8aABDhEwAw0RIAYNoLAIAsHACgTgIA
atoms_z: gMsOAMBJLQBQmw8AUJsPADB0LgDQLRsA0IUEAKDnJwCQCDUA
atoms_occupancy: AAk9AAAJPQDAYSkAoJcTAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: gLsAACBIAQBAGQEAQBkBAECcAABAnAAAQJwAAECcAABAnAAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #70, CaTiO(Ge.68Si.32)O4

qdat:
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formula: Ca Ti (Ge.49 Si.51) O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.09534
b: 8.79173
c: 6.59620
alpha: 90
beta: 113.757
gamma: 90
cell_volume: 376.606
crystal_density: 3.842
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: kAsPAPDNHgAQ9C0AEPQtAFB9LQAQsjgAUDsGAABqGADQ0iUA
atoms_y: 8KAZADBNDwCgVBoAoFQaAHCfEwAAoRMAYFcMALDsHADQ9QIA
atoms_z: EK4PAECILQDQEQ8A0BEPANBkLwBADRwAwD8FAOA4KABAcTUA
atoms_occupancy: AAk9AAAJPQBA6B0AwCAfAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 4CgBAKCGAQDgKAEA4CgBACBOAAAgTgAAIE4AACBOAAAgTgAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #50, CaTiO(Ge.49Si.51)O4

qdat:
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formula: Ca Ti Ge.336 Si.663 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.09137
b: 8.78567
c: 6.59344
alpha: 90
beta: 113.766
gamma: 90
cell_volume: 375.952
crystal_density: 3.727
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: oBkPAHCoHgBgIS4AYCEuAADNLQBAlzcA0H8FAFCdFwDAKCYA
atoms_y: MKcZAIAvDwBASxoAQEsaAACIEwBw9hEA8EsKAHC6GwDgpQEA
atoms_z: wGcPAPDwLQBQzQ8AUM0PAJB3LwAwoRoAMOADAPC2JgBAMjMA
atoms_occupancy: AAk9AAAJPQAAghQAYHcoAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: QJYBAECWAQDAXQAAwF0AAKCMAACgjAAAoIwAAKCMAACgjAAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #30, CaTiO(Ge.34Si.66)O4

qdat:
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formula: Ca Ti Ge.2 Si.799 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.07182
b: 8.74371
c: 6.57304
alpha: 90
beta: 113.782
gamma: 90
cell_volume: 371.925
crystal_density: 3.660
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: MCEOAGDlHgBAiC0AQIgtACC3LQBw+TYAgCAFAABXFwBQ8iYA
atoms_y: cHsZACBxDwDAVxoAwFcaAGBfEwCASRMAEMYLAADoHADg0QIA
atoms_z: wBwPAMAwLQCQug8AkLoPABDVLgDQeBsAoFsEAOBwJwCQkTMA
atoms_occupancy: AAk9AAAJPQAANQwAYMQwAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: AHcBAIA4AQBAnAAAQJwAAKCMAACgjAAAoIwAAKCMAACgjAAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #20, CaTiO(Ge.20Si.80)O4

qdat:
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formula: Ca Ti Ge.096 Si.903 O5
compound: <missing>
formula_title: CaTiOSiO4 - CaTiOGeO4 join
a: 7.06582
b: 8.73056
c: 6.56626
alpha: 90
beta: 113.782
gamma: 90
cell_volume: 370.668
crystal_density: 3.589
atoms_sites: ["Ca", "Ti", "Ge", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: 8BoOANDjHgBg3CwAYNwsAHDLLQAgoDUAoFsEAAB2FgAQlCQA
atoms_y: oIwZAOBRDwDgWhoA4FoaAOCdEwCwpRMAIGoMAEAgHQBQ0AIA
atoms_z: 8F8PAKDiLABAEA8AQBAPACDELwBgLxsA4BYEAJA9KAAgEDQA
atoms_occupancy: AAk9AAAJPQAA3AUAYB03AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: QJYBAIC1AQAA+gAAAPoAACBOAAAgTgAAIE4AACBOAAAgTgAA
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:
 A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4
 Note: Titanite structure
 Sample: #10, CaTiO(Ge.10Si.90)O4

qdat:
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formula: Fe5.19 Mg.25 Ti.59 Nb.04 Ta.01 (Ca1.69 Na.21 Mn.1) Si4.49 Be.9 Al.54 O20
compound: <missing>
formula_title: <missing>
a: 10.355
b: 10.751
c: 8.873
alpha: 105.757
beta: 96.227
gamma: 124.861
cell_volume: 735.302
crystal_density: 3.959
pub_title:
 Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the
 aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern
 Urals), Russia
 Sample: 400shch6

atoms_sites:
["Fe1", "Mg1", "Fe2", "Mg2", "Fe3", "Mg3", "Fe4", "Mg4", "Fe5", "Mg5", "Fe6", "Mg6", "Ti7", "Fe7", "Nb7", "Ta7", "Ca8", "Na8", "Mn8", "Ca9", "Na9", "Mn9", "Si1", "Be1", "Si2", "Si3", "Al3", "Fe3", "Si4", "Be4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Fe1", "Mg1", "Fe2", "Mg2", "Fe3", "Mg3", "Fe4", "Mg4", "Fe5", "Mg5", "Fe6", "Mg6", "Ti7", "Fe7", "Nb7", "Ta7", "Ca8", "Na8", "Mn8", "Ca9", "Na9", "Mn9", "Si1", "Be1", "Si2", "Si3", "Al3", "Fe3", "Si4", "Be4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: Fe5.145 Mg.225 Ti.54 Nb.07 Al.48 Sn.02 Ca1.77 Na.19 Mn.04 Si4.52 Be O20
compound: <missing>
formula_title: <missing>
a: 10.373
b: 10.768
c: 8.878
alpha: 105.794
beta: 96.183
gamma: 124.934
cell_volume: 737.315
crystal_density: 3.936
pub_title:
 Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the
 aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern
 Urals), Russia
 Sample: 3319

atoms_sites:
["Fe1", "Mg1", "Fe2", "Mg2", "Fe3", "Fe3", "Fe4", "Mg4", "Fe5", "Mg5", "Fe6", "Mg6", "Ti7", "Fe7", "Nb7", "Al7", "Sn7", "Ca8", "Na8", "Ca9", "Na9", "Mn9", "Si1", "Be1", "Si2", "Si3", "Al3", "Fe3", "Si4", "Be4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Fe1", "Mg1", "Fe2", "Mg2", "Fe3", "Fe3", "Fe4", "Mg4", "Fe5", "Mg5", "Fe6", "Mg6", "Ti7", "Fe7", "Nb7", "Al7", "Sn7", "Ca8", "Na8", "Ca9", "Na9", "Mn9", "Si1", "Be1", "Si2", "Si3", "Al3", "Fe3", "Si4", "Be4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: Fe5.61 Mg.12 Ti.24 Al.38 Sn.03 (Ca1.71 Na.29) Si4.56 Be1.06 O20
compound: <missing>
formula_title: <missing>
a: 10.322
b: 10.729
c: 8.8624
alpha: 105.802
beta: 96.185
gamma: 124.758
cell_volume: 731.673
crystal_density: 3.969
pub_title:
 Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the
 aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern
 Urals), Russia
 Sample: N86

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 640 K, P = 6 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 740 K, P = 6 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 885 K, P = 6 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1020 K, P = 6 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1150 K, P = 6 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 970 K, P = 6 GPa during cooling

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 860 K, P = 6 GPa during cooling

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 700 K, P = 6 GPa during cooling

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 675 K, P = 5 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 770 K, P = 5 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 920 K, P = 5 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1070 K, P = 5 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1130 K, P = 5 GPa during heating

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1010 K, P = 5 GPa during cooling

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 870 K, P = 5 GPa during cooling

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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 620 K, P = 5 GPa during cooling

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 730 K, P = 3 GPa during heating

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 815 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 960 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1045 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1090 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1110 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1220 K, P = 3 GPa during heating

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1310 K, P = 3 GPa during heating

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1430 K, P = 3 GPa during heating

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1320 K, P = 3 GPa during cooling

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1210 K, P = 3 GPa during cooling

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1130 K, P = 3 GPa during cooling

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1070 K, P = 3 GPa during cooling

qdat:
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 1030 K, P = 3 GPa during cooling

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 890 K, P = 3 GPa during cooling

qdat:
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formula: (Mg Fe2) O4
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pub_title:
 Effects of high pressure and high temperature on cation ordering in
 magnesioferrite, MgFe2O4, using in situ synchrotron X-ray powder
 diffraction up to 1430 K and 6 GPa
 Sample: T = 560 K, P = 3 GPa during cooling

qdat:
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formula: Na Mg F3
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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 25 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 200 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 400 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 600 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 700 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 800 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 900 C

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pub_title:
 Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
 Sample: P = 4 GPa, T = 1000 C, high-T polymorph

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pub_title:
 Does the bazhenovite structure really contain a thiosulfate group?
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pub_title:
 Light-induced degradation dynamics in realgar: in situ structural investigation
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 Sample: Getchell mine, Nevada; t = 0 hours
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pub_title:
 Light-induced degradation dynamics in realgar: in situ structural investigation
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 Sample: Getchell mine, Nevada; t = 6 hours
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pub_title:
 Light-induced degradation dynamics in realgar: in situ structural investigation
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 Sample: Getchell mine, Nevada; t = 12 hours
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 Light-induced degradation dynamics in realgar: in situ structural investigation
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pub_title:
 Light-induced degradation dynamics in realgar: in situ structural investigation
 using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
 Sample: Getchell mine, Nevada; t = 24 hours
 Note: space group corrected

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pub_title:
 Structural changes accompanying the phase transformation between leadhillite
 and susannite: a structural study by means of in situ high-temperature single-
 crystal X-ray diffraction
 Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran
 Sample: T = 25 C

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pub_title:
 Structural changes accompanying the phase transformation between leadhillite
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 crystal X-ray diffraction
 Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran
 Sample: T = 82 C

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pub_title:
 Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia:
 Description and crystal structure
 Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada

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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Elb2rim
formula_title: <missing>
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crystal_density: 3.039
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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2y
formula_title: <missing>
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b: 15.9055
c: 7.1270
alpha: 90
beta: 90
gamma: 120
cell_volume: 1561.464
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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2z
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alpha: 90
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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2w
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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2x
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compound: Elba, Italy
pub_title: Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2m
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L4c
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L3h
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L4b
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L4d
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L1v
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compound: Cruziero pegmatite, Minas Gerais, Brazil
pub_title: Crystal chemistry of the elbaite-schorl series Sample: L1z
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compound: Parana, Brazil
pub_title: Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite Sample: N.35, untreated
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gamma: 90
cell_volume: 432.114
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compound: Parana, Brazil
formula_title: <missing>
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b: 8.9417
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alpha: 90
beta: 108.507
gamma: 90
cell_volume: 432.048
crystal_density: 3.559
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 10 min

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atoms_aniso_label:
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formula: Mg.919 Fe.848 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7057
b: 8.9396
c: 5.2453
alpha: 90
beta: 108.478
gamma: 90
cell_volume: 431.646
crystal_density: 3.565
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 20 min

atoms_sites:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u33:
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qdat:
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formula: Mg.916 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7118
b: 8.9442
c: 5.2484
alpha: 90
beta: 108.496
gamma: 90
cell_volume: 432.349
crystal_density: 3.560
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 30 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Mg.919 Fe.847 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7114
b: 8.9473
c: 5.2513
alpha: 90
beta: 108.475
gamma: 90
cell_volume: 432.773
crystal_density: 3.555
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 50 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Mg.92 Fe.847 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7087
b: 8.9405
c: 5.2468
alpha: 90
beta: 108.496
gamma: 90
cell_volume: 431.901
crystal_density: 3.562
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 90 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Mg.917 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7104
b: 8.9417
c: 5.2476
alpha: 90
beta: 108.479
gamma: 90
cell_volume: 432.143
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 180 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: Mg.917 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7120
b: 8.9434
c: 5.2492
alpha: 90
beta: 108.479
gamma: 90
cell_volume: 432.428
crystal_density: 3.559
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 300 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u23:
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qdat:
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formula: Mg.919 Fe.848 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7132
b: 8.9469
c: 5.2500
alpha: 90
beta: 108.484
gamma: 90
cell_volume: 432.704
crystal_density: 3.556
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 600 min

atoms_x:
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formula: Mg.917 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7096
b: 8.9421
c: 5.2464
alpha: 90
beta: 108.476
gamma: 90
cell_volume: 432.036
crystal_density: 3.562
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 700 C for t = 1000 min

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qdat:
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formula: Mg.919 Fe.847 Ca.192 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7069
b: 8.9427
c: 5.2470
alpha: 90
beta: 108.458
gamma: 90
cell_volume: 432.039
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 800 C for t = 1.5 min

atoms_x:
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atoms_z:
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qdat:
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formula: Mg.916 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7088
b: 8.9429
c: 5.2473
alpha: 90
beta: 108.471
gamma: 90
cell_volume: 432.126
crystal_density: 3.562
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 800 C for t = 3.5 min

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: Mg.915 Fe.852 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7094
b: 8.9457
c: 5.2478
alpha: 90
beta: 108.468
gamma: 90
cell_volume: 432.336
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 800 C for t = 6 min

atoms_x:
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atoms_y:
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atoms_z:
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formula: Mg.918 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7113
b: 8.9455
c: 5.2504
alpha: 90
beta: 108.478
gamma: 90
cell_volume: 432.600
crystal_density: 3.557
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 800 C for t = 10 min

atoms_x:
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formula: Mg.916 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7134
b: 8.9482
c: 5.2485
alpha: 90
beta: 108.463
gamma: 90
cell_volume: 432.706
crystal_density: 3.557
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.35, annealed at T = 800 C for t = 18 min

atoms_x:
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atoms_y:
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atoms_z:
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formula: Mg.92 Fe.847 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7075
b: 8.9444
c: 5.2461
alpha: 90
beta: 108.485
gamma: 90
cell_volume: 432.006
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 800 C for t = 60 min

atoms_x:
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formula: Mg.919 Fe.848 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
pub_title: Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite Sample: N.13, untreated
formula_title: <missing>
a: 9.7060
b: 8.9400
c: 5.2460
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gamma: 90
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formula: Mg.915 Fe.852 Ca.19 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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b: 8.9413
c: 5.2473
alpha: 90
beta: 108.515
gamma: 90
cell_volume: 431.973
crystal_density: 3.564
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 80 min

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formula: Mg.916 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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b: 8.9414
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alpha: 90
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gamma: 90
cell_volume: 431.974
crystal_density: 3.563
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 120 min

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formula: Mg.918 Fe.849 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7086
b: 8.9421
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alpha: 90
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gamma: 90
cell_volume: 431.997
crystal_density: 3.562
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 240 min

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formula: Mg.918 Fe.849 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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b: 8.9415
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alpha: 90
beta: 108.485
gamma: 90
cell_volume: 431.919
crystal_density: 3.563
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 360 min

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formula: Mg.919 Fe.848 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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b: 8.9419
c: 5.2481
alpha: 90
beta: 108.496
gamma: 90
cell_volume: 432.058
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 840 min

atoms_x:
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formula: Mg.917 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7050
b: 8.9419
c: 5.2454
alpha: 90
beta: 108.485
gamma: 90
cell_volume: 431.716
crystal_density: 3.565
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 1680 min

atoms_x:
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formula: Mg.919 Fe.848 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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alpha: 90
beta: 108.499
gamma: 90
cell_volume: 431.989
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 3120 min

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formula: Mg.918 Fe.849 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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alpha: 90
beta: 108.485
gamma: 90
cell_volume: 432.031
crystal_density: 3.562
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 650 C for t = 7440 min

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formula: Mg.916 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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cell_volume: 431.915
crystal_density: 3.563
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 750 C for t = 9 min

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formula: Mg.919 Fe.847 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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cell_volume: 432.074
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 750 C for t = 15 min

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formula: Mg.919 Fe.849 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
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b: 8.9436
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alpha: 90
beta: 108.491
gamma: 90
cell_volume: 432.026
crystal_density: 3.561
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 750 C for t = 25 min

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formula: Mg.918 Fe.85 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7100
b: 8.9462
c: 5.2480
alpha: 90
beta: 108.494
gamma: 90
cell_volume: 432.338
crystal_density: 3.560
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 750 C for t = 50 min

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formula: Mg.915 Fe.851 Ca.191 Mn.029 Na.003 Ti.01 Si1.984 Al.016 O6
compound: Parana, Brazil
formula_title: <missing>
a: 9.7103
b: 8.9444
c: 5.2490
alpha: 90
beta: 108.468
gamma: 90
cell_volume: 432.412
crystal_density: 3.560
pub_title:
 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
 Sample: N.13, annealed at T = 750 C for t = 100 min

atoms_x:
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pub_title:
 First occurrence of iodine in natural sulfosalts: the case of mutnovskite, Pb2AsS3(I,Cl,Br),
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pub_title:
 The real topological configuration of the extra-framework content in
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pub_title:
 The crystal structure of dissakisite-(La) and structural variations
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pub_title:
 The crystal structure of dissakisite-(La) and structural variations
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 Sample: DISS3 annealed 700 C for 3 hours

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formula_title: <missing>
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pub_title:
 The crystal structure of dissakisite-(La) and structural variations
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 Sample: DISS3 annealed 700 C for 18 (3+15) hours

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compound: hypothetical structure calculated with DFT
pub_title: First-principles study of the OH-stretching modes of gibbsite
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formula: Mg O2 H2
compound: hypothetical structure calculated with DFT
formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 128.771
crystal_density: 2.256
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pub_title:
 High-pressure proton disorder in brucite
 Sample: P = .3 GPa
 Note: cell adjusted to match Figure 2

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formula: Mg O2 H2
compound: hypothetical structure calculated with DFT
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pub_title:
 High-pressure proton disorder in brucite
 Sample: P = 8.4 GPa
 Note: cell adjusted to match Figure 2

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formula: Mg O2 H2
compound: hypothetical structure calculated with DFT
formula_title: <missing>
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pub_title:
 High-pressure proton disorder in brucite
 Sample: P = 119.1 GPa
 Note: cell adjusted to match Figure 2

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formula: K.78 Na.12 Ba.05 Mg1.65 Fe.88 Li.02 Ti.31 Si2.56 Al1.38 O11.14 F.83 Cl.02 H1.1
compound: Mt. Vulture, Potenza, Italy
formula_title: <missing>
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alpha: 90
beta: 100.00
gamma: 90
cell_volume: 485.347
crystal_density: 3.074
pub_title:
 An electron microprobe analysis, secondary ion mass spectrometry and single
 crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
 Consideration of cation partioning
 Sample: LC7-1R
 Note: mica

atoms_sites:
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compound: Mt. Vulture, Potenza, Italy
formula_title: <missing>
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pub_title:
 An electron microprobe analysis, secondary ion mass spectrometry and single
 crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
 Consideration of cation partioning
 Sample: LC7-3Go
 Note: mica

atoms_sites:
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formula: K.9 Na.05 Ba.04 Mg2.36 Fe.38 Al1.5 Ti.06 Si2.68 O11.63 F.37 H1.61
compound: Mt. Vulture, Potenza, Italy
formula_title: <missing>
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c: 10.312
alpha: 90
beta: 99.97
gamma: 90
cell_volume: 502.613
crystal_density: 2.866
pub_title:
 An electron microprobe analysis, secondary ion mass spectrometry and single
 crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy:
 Consideration of cation partioning
 Sample: LC7-27Go
 Note: mica

atoms_sites:
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formula: V2.254 Cr.158 Fe.036 Ti2.535 O9
compound: Sludyanka complex at the southern shore of Lake Baikal, Russia
pub_title: Schreyerite, V2Ti3O9: New occurrence and crystal structure
formula_title: <missing>
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b: 5.0253
c: 7.0579
alpha: 90
beta: 106.636
gamma: 90
cell_volume: 581.185
crystal_density: 4.462
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formula: Na1.462 Ca.474 (Si2.685 Al2.315) O13 H6
compound: Mt. Saint-Hilaire, Quebec, Canada
pub_title: Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.4 GPa
formula_title: <missing>
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b: 19.002
c: 9.936
alpha: 90
beta: 108.97
gamma: 90
cell_volume: 1174.857
crystal_density: 2.287
atoms_aniso_label: "<missing>"
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formula: Na1.462 Ca.474 (Si2.685 Al2.315) O13 H6
compound: Mt. Saint-Hilaire, Quebec, Canada
pub_title: Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.8 GPa
formula_title: <missing>
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formula: Na1.462 Ca.474 (Si2.685 Al2.315) O13 H6
compound: Mt. Saint-Hilaire, Quebec, Canada
pub_title: Pressure-induced hydration in zeolite tetranatrolite Note: P = 1.1 GPa
formula_title: <missing>
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alpha: 90
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gamma: 90
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formula: Na1.462 Ca.474 (Si2.685 Al2.315) O13 H6
compound: Mt. Saint-Hilaire, Quebec, Canada
pub_title: Pressure-induced hydration in zeolite tetranatrolite Note: P = 2.5 GPa
formula_title: <missing>
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 Pressure-induced hydration in zeolite tetranatrolite
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pub_title:
 Pressure-induced hydration in zeolite tetranatrolite
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 Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
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 Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
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 Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 500 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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 Sample: MgFe20, T = 550 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 600 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 650 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 700 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 800 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 900 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 1000 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 1050 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 25 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 200 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 400 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 450 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 500 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 550 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 600 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 650 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 700 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 800 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 900 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 1000 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe14, T = 1050 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 25 C, untreated

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 25 C, quenced from 1000 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 200 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 400 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 450 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 500 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 550 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 600 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 650 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 700 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 800 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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 Sample: 3dis, T = 900 C

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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: 3dis, T = 1000 C


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pub_title:
 Thermodynamics and kinetics of cation ordering in natural and synthetic
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 Sample: 3dis, T = 1050 C

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pub_title: Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch, untreated
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 60 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 180 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 420 m


formula: Mg1.144 Al1.826 Cr.03 O4
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 840 m


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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 2520 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 3960 m


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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 7980 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 15840 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, disordering, t = 33120 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 0 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 12 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 36 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 120 m

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compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 240 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 480 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 960 m

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formula: Mg1.2 Al1.77 Cr.03 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 6660 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch, annealed at T = 650 C, ordering, t = 26820 m

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formula: Mg1.135 Al1.808 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
pub_title: Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels Sample: Ch1, untreated
formula_title: <missing>
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formula: Mg1.264 Al1.679 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 0 m

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formula: Mg1.263 Al1.68 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 0.25 m

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formula: Mg1.255 Al1.688 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 0.50 m


formula: Mg1.252 Al1.691 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 1.50 m


formula: Mg1.242 Al1.701 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 15 m

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formula: Mg1.239 Al1.704 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 30 m

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formula: Mg1.338 Al1.705 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 60 m

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formula: Mg1.235 Al1.708 Cr.057 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Ch1, annealed at T = 850 C, ordering, t = 1440 m


formula: Mg1.115 Al1.641 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 60 m


formula: Mg1.115 Al1.641 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 180 m


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compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 420 m

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compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 840 m


formula: Mg1.143 Al1.613 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 2520 m

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compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 3960 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 7980 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 15840 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, disordering, t = 33120 m


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compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 0 m

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compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 12 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 36 m

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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 120 m


formula: Mg1.147 Al1.609 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 240 m


formula: Mg1.142 Al1.614 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 480 m


formula: Mg1.142 Al1.614 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 6660 m


formula: Mg1.144 Al1.612 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 26820 m


formula: Mg1.215 Al1.541 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 850 C, ordering, t = 0 m

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formula: Mg1.215 Al1.541 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 850 C, ordering, t = 0.25 m

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formula: Mg1.211 Al1.545 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 850 C, ordering, t = 0.50 m

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formula: Mg1.186 Al1.57 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 850 C, ordering, t = 1.5 m

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formula: Mg1.177 Al1.579 Cr.244 O4
compound: Olkhon metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 850 C, ordering, t = 1440 m


formula: Al2 Si O5
compound: Okkamitiya Sabaragamuiwa province, Sri Lanka
formula_title: <missing>
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alpha: 90
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = .0001 GPa

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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 1.548 GPa

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formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 4.144 GPa

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formula: Al2 Si O5
compound: Okkamitiya Sabaragamuiwa province, Sri Lanka
formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 5.750 GPa

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formula: Al2 Si O5
compound: Okkamitiya Sabaragamuiwa province, Sri Lanka
formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 7.663 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = .0001 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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beta: 90
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 1.474 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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alpha: 90
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 2.512 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 3.129 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 3.932 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 5.441 GPa

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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 7.565 GPa

qdat:
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formula: Al2 Si O5
compound: Minas Gerais, Brazil
formula_title: <missing>
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c: 5.4872
alpha: 90
beta: 90
gamma: 90
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atoms_aniso_u23: 0
pub_title:
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 9.828 GPa

qdat:
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formula: (Co.8 Mg.2) U2 Si2 O18 H14
compound: <missing>
formula_title: <missing>
a: 7.0494
b: 17.550
c: 12.734
alpha: 90
beta: 90
gamma: 90
cell_volume: 1575.412
crystal_density: 3.737
atoms_sites: ["Co", "Mg", "U", "Si", "O1", "O2", "O3", "O4", "O-h5", "Ow6", "Ow7", "H1", "H2", "H3", "H4", "H5"]
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atoms_aniso_label: ["Co", "Mg", "U", "Si", "O1", "O2", "O3", "O4", "O-h5", "Ow6", "Ow7"]
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pub_title:
 A novel arrangement of silicate tetrahedra in the uranyl silicate sheet of
 oursinite, (Co0.8Mg0.2)[(UO2)(SiO3OH)]2(H2O)6

qdat:
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formula: Mg45 Si32 O138 H58
compound: <missing>
formula_title: <missing>
a: 81.664
b: 9.255
c: 7.261
alpha: 90
beta: 91.409
gamma: 90
cell_volume: 5486.207
crystal_density: 2.578
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structure of a second antigorite polysome (m = 16),
 by single-crystal synchrotron diffraction

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

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formula: (Ni2.32 Fe1.68) P
compound: <missing>
formula_title: <missing>
a: 6.025
b: 6.025
c: 6.025
alpha: 90
beta: 90
gamma: 90
cell_volume: 218.711
crystal_density: 7.925
atoms_sites: ["Ni1", "Fe1", "Ni2", "Fe2", "P"]
atoms_x: oCEHAKAhBwCwhSkAsIUpAODLAwA=
atoms_y: MKAMADCgDACwhSkAsIUpAODLAwA=
atoms_z: SMQbAEjEGwCwhSkAsIUpAODLAwA=
atoms_occupancy: gGYjAICiGQCAZiMAgKIZAAAJPQA=
atoms_u_iso: IMUBACDFAQDQlwEA0JcBACB6AQA=
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pub_title:
 Icosahedral coordination of phosphorus in the crystal structure of melliniite,
 a new phosphide mineral from the Northwest Africa 1054 acapulcoite

qdat:
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formula: Mg Si O3
compound: synthetic sample
pub_title: Equation of state of CaIrO3-type MgSiO3 up to 144 GPa Sample: P = 116 GPa, T = 300 K
formula_title: MgSiO3
a: 2.4687
b: 8.1165
c: 6.1514
alpha: 90
beta: 90
gamma: 90
cell_volume: 123.257
crystal_density: 5.410
atoms_sites: ["Mg", "Si", "O1", "O2"]
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atoms_y: 0KcPAAAAAABgjjkAABAnAA==
atoms_z: QEIPAAAAAABAQg8AgAAbAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
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formula: Na.74 K.02 Ca1.27 Mn1.005 Mg4.51 Fe.07 Ti.01 Al.985 Si7.08 O24 H2
compound: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
formula_title: <missing>
a: 9.8260
b: 18.0487
c: 5.2840
alpha: 90
beta: 104.55
gamma: 90
cell_volume: 907.045
crystal_density: 3.110
pub_title:
 Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
 between Ca and Mn2+ at the M4 site in amphiboles
 Sample: 1103
 Note: A and B occupancies invented to match formula

atoms_sites:
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qdat:
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formula: Na.48 K.01 Ca1.13 Mn1.04 Mg4.21 Fe.04 Al.51 Si7.52 O24 H2
compound: amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
formula_title: <missing>
a: 9.7807
b: 18.0548
c: 5.2928
alpha: 90
beta: 104.19
gamma: 90
cell_volume: 906.130
crystal_density: 3.040
pub_title:
 Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
 between Ca and Mn2+ at the M4 site in amphiboles
 Sample: 1104
 Note: A and B occupancies invented to match formula

atoms_sites:
["NaA", "NaAm", "KAm", "NaA2", "CaM4B", "MnM4B", "NaM4B", "MgM1", "Mn2+M1", "MgM2", "Mn2+M2", "Fe2+M2", "Fe3+M2", "MgM3", "AlM3", "SiT1", "AlT1", "SiT2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

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qdat:
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formula: Na.64 K.02 Ca Mn1.27 Mg4.56 Fe.04 Al.76 Ti.01 Si7.36 O24 H2
compound: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
formula_title: <missing>
a: 9.795
b: 18.047
c: 5.2869
alpha: 90
beta: 104.28
gamma: 90
cell_volume: 905.691
crystal_density: 3.125
pub_title:
 Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
 between Ca and Mn2+ at the M4 site in amphiboles
 Sample: 1079
 Note: A and B occupancies invented to match formula

atoms_sites:
["NaA", "NaAm", "NaA2", "KA2", "CaM4B", "MnM4B", "CaM4*B", "MnM4*B", "MgM1", "Mn2+M1", "Fe2+M1", "MgM2", "Mn2+M2", "Fe3+M2", "AlM2", "Ti4+M2", "Fe2+M2", "MgM3", "AlM3", "Mn2+M3", "SiT1", "AlT1", "SiT2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

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atoms_aniso_label:
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qdat:
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formula: Mg Si O3
compound: Synthetic
pub_title: Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = .0001 GPa
formula_title: <missing>
a: 4.7781
b: 4.9305
c: 6.8990
alpha: 90
beta: 90
gamma: 90
cell_volume: 162.530
crystal_density: 4.103
atoms_sites: ["Mg", "Si", "O1", "O2"]
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atoms_z: QEIPAICEHgBAQg8AYLohAA==
atoms_occupancy: 0
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atoms_aniso_label: ["Mg", "Si", "O1", "O2"]
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