# cif

formula: Ca4.64 Na1.62 Zr1.29 Mn.45 Si4 O15 F3
compound: Monte Somma syenite, Italy
formula_title: <missing>
a: 10.973
b: 10.306
c: 7.367
alpha: 90.03
beta: 109.63
gamma: 90.11
cell_volume: 784.696
crystal_density: 3.280
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain I

atoms_sites:
["Ca(1)", "Ca(2)", "Na(2)", "Ca(3)", "Zr(3)", "Ca(4)", "Zr", "Ca(5)", "Mn(5)", "NaCa(1)", "CaNa(1)", "NaCa(2)", "CaNa(2)", "Si(1)", "Si(2)", "Si(3)", "Si(4)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)", "O(9)", "O(10)", "O(11)", "O(12)", "O(13)", "O(14)", "O(15)", "F(16)", "F(17)", "F(18)"]

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formula: Ca4.25 Nb.57 Zr1.43 Fe.18 Na1.57 Si4 O17 F
compound: Monte Somma syenite, Italy
formula_title: <missing>
a: 10.836
b: 10.270
c: 7.296
alpha: 90
beta: 109.13
gamma: 90
cell_volume: 767.103
crystal_density: 3.477
atoms_aniso_label: "<missing>"
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pub_title:
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain II

atoms_sites:
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formula: Ca4.52 Na1.88 Zr1.19 Mn.41 Si4 O15 F3
compound: Monte Somma syenite, Italy
formula_title: <missing>
a: 10.970
b: 10.943
c: 7.365
alpha: 109.63
beta: 109.65
gamma: 83.39
cell_volume: 784.247
crystal_density: 3.239
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain IV

atoms_sites:
["Ca(1)", "Na(1)", "Ca(2)", "Ca(3)", "Ca(4)", "Zr", "MnM", "CaM", "ZrM", "Na", "NaCa", "CaNa", "Si(1)", "Si(2)", "Si(3)", "Si(4)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)", "O(9)", "O(10)", "O(11)", "O(12)", "O(13)", "O(14)", "O(15)", "F(16)", "F(17)", "F(18)"]

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formula: Cs B Si2 O6
compound: Upper Dara-Pioz alkaline massif, Garm district, Tajikistan
formula_title: <missing>
a: 13.019
b: 13.019
c: 12.899
alpha: 90
beta: 90
gamma: 90
cell_volume: 2186.308
crystal_density: 3.596
atoms_sites: ["Cs", "B", "Si", "O1", "O2", "O3"]
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atoms_y: uMcWAGDHIwCIEQcAwPUIAHBfDQCgNgYA
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atoms_occupancy: 0
atoms_u_iso: kC0BAAB9AACAiQAAQAABANAaAQDw6wAA
atoms_aniso_label: ["Cs", "B", "Si", "O1", "O2", "O3"]
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pub_title:
 Kirchhoffite, CsBSi2O6, a new mineral species from the
 Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure

qdat:
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formula: Pb3.45 Sb2.55 S6.55 Cl1.45
compound: Synthetic
formula_title: Pb3.45Sb2.55S6.55Cl1.45
a: 15.194
b: 23.035
c: 4.0591
alpha: 90
beta: 90
gamma: 90
cell_volume: 1420.660
crystal_density: 6.016
atoms_aniso_label: ["Pb1", "Pb2", "Pb3", "S1", "Cl1", "S2", "Cl2", "S3", "Cl3", "S4", "S5", "S6", "S7", "Cl"]
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pub_title:
 Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45):
 The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and
 its polychalcogenide derivatives (N = 1-3)

atoms_sites:
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formula: Ba Be2 Si2 O7
compound: Vishnevye Hills, USSR
formula_title: <missing>
a: 9.79
b: 11.01
c: 4.63
alpha: 90
beta: 90
gamma: 90
cell_volume: 499.058
crystal_density: 4.306
atoms_sites: ["Ba", "Bel", "Be2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 Crystal structure of barylite, BaBe2Si2O7
 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD

qdat:
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formula: Ba Mg2 Li Al3 Si4 O16.64 (F3.36 H4.64)
compound: <missing>
pub_title: Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure
formula_title: <missing>
a: 13.60
b: 20.24
c: 5.16
alpha: 90
beta: 90
gamma: 90
cell_volume: 1420.362
crystal_density: 3.371
atoms_sites: ["Ba", "Mg", "Li1", "Al1", "Al2", "Si", "O-H1", "F1", "O-H2", "F2", "O3", "O4", "O5"]
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formula: K (Fe1.22 Mg.78) Si4 O12 H2
compound: <missing>
pub_title: Refining the crystallographic structure of celadonite
formula_title: <missing>
a: 5.223
b: 9.047
c: 10.197
alpha: 90
beta: 100.43
gamma: 90
cell_volume: 473.872
crystal_density: 3.031
atoms_sites: ["K", "FeM1", "MgM1", "MgM2", "FeM2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "H"]
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formula: Pb3 Cu O4 Cl2 H2
compound: Merehead Quarry, Somerset, England
formula_title: <missing>
a: 6.6972
b: 5.7538
c: 10.4686
alpha: 90
beta: 97.747
gamma: 90
cell_volume: 399.719
crystal_density: 6.830
atoms_sites: ["Pb1", "Pb2", "Pb3", "Cu1", "O1", "O-H2", "O-H3", "Cl1", "Cl2"]
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atoms_occupancy: 0
atoms_u_iso: ULQAADC7AADAxgAA8OsAADDAAABg0QAAAK8AAKAJAQAgrAEA
atoms_aniso_label: ["Pb1", "Pb2", "Pb3", "Cu1", "O1", "O-H2", "O-H3", "Cl1", "Cl2"]
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pub_title:
 Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in
 terms of oxocentred OPb4 tetrahedra

qdat:
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formula: Cu Se O5 H4
compound: Baccu Locci, Sardinia, Italy
pub_title: Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement
formula_title: <missing>
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formula: (Mg3.5 Zn1.5) As4 O26 H22
compound: Tsumeb mine, Tsumeb, Namibia
formula_title: <missing>
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b: 11.440
c: 6.616
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pub_title:
 Die Kristallstruktur von Chudobait, (Mg,Zn)5H2[AsO4]4*10H2O
 Note: many positional parameters were edited according to ICSD
 because they were missing negative signs

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formula: Pb2 V2 O7
compound: Synthetic
pub_title: Refinement of the crystal structure of synthetic chervetite, Pb2V2O7
formula_title: <missing>
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formula: Hg3 Pb16 Sb18 S46
compound: Gelnica ore district, Slovak Republic
pub_title: The mineral marrucciite: monoclinic Hg3Pb16Sb18S46
formula_title: <missing>
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b: 4.1083
c: 23.990
alpha: 90
beta: 118.76
gamma: 90
cell_volume: 4157.927
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atoms_x:

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formula: Zr O2
compound: Synthetic
formula_title: <missing>
a: 5.1505
b: 5.2116
c: 5.3173
alpha: 90
beta: 99.230
gamma: 90
cell_volume: 140.881
crystal_density: 5.810
atoms_sites: ["Zr", "O1", "O2"]
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pub_title:
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction

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formula: (Zr.935 Y.065) O.984
compound: Synthetic
formula_title: Zr0.935Y0.065O1.968
a: 3.6055
b: 3.6055
c: 5.1797
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.334
crystal_density: 10.537
atoms_sites: ["Zr", "Y", "O"]
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pub_title:
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction

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formula: (Zr.904 Mg.096) O1.904
compound: Synthetic
formula_title: <missing>
a: 5.0858
b: 5.0858
c: 5.0858
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.546
crystal_density: 5.820
atoms_sites: ["Zr", "Mg", "O"]
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pub_title:
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
 Note: model 1, O atom not displaced

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formula: (Zr.875 Mg.125) O1.872
compound: Synthetic
formula_title: <missing>
a: 5.0858
b: 5.0858
c: 5.0858
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.546
crystal_density: 5.696
atoms_sites: ["Zr", "Mg", "O"]
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pub_title:
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
 Note: model 2, O displaced along [100]

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formula: (Zr.875 Mg.125) O1.872
compound: Synthetic
formula_title: <missing>
a: 5.0858
b: 5.0858
c: 5.0858
alpha: 90
beta: 90
gamma: 90
cell_volume: 131.546
crystal_density: 5.696
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pub_title:
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
 Note: model 3, O displaced along [111]

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formula: K4 Mn Cl6
compound: <missing>
pub_title: La struttura della cloromanganocalite
formula_title: <missing>
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c: 8.468
alpha: 89.53
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gamma: 89.53
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formula: Ba Mg2 Si2 O7
compound: <missing>
pub_title: Crystal structure of BaMg2Si2O7 and Eu2+ luminescence
formula_title: BaMg2Si2O7
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b: 12.71376
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formula: Ba2 Co Si2 O7
compound: Synthetic
formula_title: Ba2CoSi2O7
a: 8.450
b: 10.729
c: 8.474
alpha: 90
beta: 111.365
gamma: 90
cell_volume: 715.458
crystal_density: 4.658
atoms_sites: ["Ba", "Co", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 Synthesis, structural analyses, and unusual magnetic properties of
 Ba2CoSi2O7 and BaCo2Si2O7
 Note: Compound 1

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formula: Ba Co2 Si2 O7
compound: Synthetic
formula_title: BaCo2Si2O7
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b: 12.781
c: 13.762
alpha: 90
beta: 90.299
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pub_title:
 Synthesis, structural analyses, and unusual magnetic properties of
 Ba2CoSi2O7 and BaCo2Si2O7
 Note: Compound 2

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formula: Ba Zn2 Si2 O7
compound: Synthetic
pub_title: Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C
formula_title: BaZn2Si2O7
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b: 13.0265
c: 6.7374
alpha: 90
beta: 90
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crystal_density: 4.333
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formula: Ba Be2 Si2 O7
compound: <missing>
formula_title: <missing>
a: 11.618
b: 4.904
c: 4.655
alpha: 89.94
beta: 90
gamma: 90
cell_volume: 265.217
crystal_density: 4.051
atoms_sites: ["Ba1", "Ba2", "Be1", "Be2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7
 Note: polytype barylite-1O

qdat:
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formula: Ge O2
compound: Synthetic
pub_title: Structural studies of rutile-type metal dioxides
formula_title: <missing>
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b: 4.4066
c: 2.8619
alpha: 90
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gamma: 90
cell_volume: 55.573
crystal_density: 6.252
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qdat:
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formula: Ru O2
compound: Synthetic
pub_title: Structural studies of rutile-type metal dioxides
formula_title: RuO2
a: 4.4968
b: 4.4968
c: 3.1049
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.785
crystal_density: 7.039
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atoms_aniso_u33: wEQAAGBtAAA=
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qdat:
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formula: Sn O2
compound: Synthetic
pub_title: Structural studies of rutile-type metal dioxides
formula_title: <missing>
a: 4.7374
b: 4.7374
c: 3.1864
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.512
crystal_density: 6.999
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qdat:
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formula: Ir O2
compound: Synthetic
pub_title: Structural studies of rutile-type metal dioxides
formula_title: IrO2
a: 4.5051
b: 4.5051
c: 3.1586
alpha: 90
beta: 90
gamma: 90
cell_volume: 64.107
crystal_density: 11.616
atoms_sites: ["Ir", "O"]
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qdat:
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formula: Pb O2
compound: Synthetic
pub_title: Structural studies of rutile-type metal dioxides
formula_title: <missing>
a: 4.9577
b: 4.9577
c: 3.3879
alpha: 90
beta: 90
gamma: 90
cell_volume: 83.270
crystal_density: 9.540
atoms_sites: ["Pb", "O"]
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atoms_aniso_u12: oA8AAGBtAAA=
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atoms_aniso_u23: AAAAAAAAAAA=
qdat:
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formula: (Na.94 Ca.06) (Al5.295 Fe3.705) Si6 B3 O30.7 F.3 H3.23
compound: Blocherleitengraben, Lower Austria
formula_title: <missing>
a: 16.0393
b: 16.0393
c: 7.2536
alpha: 90
beta: 90
gamma: 120
cell_volume: 1616.051
crystal_density: 3.313
atoms_aniso_u11: cFwBAHBcAQB4qgAAeKoAAOhxAADocQAAUG4AAGCfAAAgkwEAIJMBACCTAQBAAAEAcI4BADCnAAAwJAEAIMsAACCyAACAiQAA
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atoms_aniso_u12: cK0AAHCtAABQVQAAUFUAAJAzAACQMwAAiDYAAABLAACQyQAAkMkAAJDJAADgRwAAcMYAAFCRAADgkgAAIGcAAAAyAACgWgAA
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atoms_aniso_u23: AAAAAAAAAAB44v//eOL//yAIAAAgCAAAePb//+AVAAAAAAAAAAAAAAAAAADwCgAAcBcAACDq//+ADAAA8PH//0Dt//+AJQAA
pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls1

atoms_sites:
["NaX", "CaX", "AlY", "FeY", "AlZ", "FeZ", "SiT", "B", "O1", "O-H1", "F1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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qdat:
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formula: (Na.938 Ca.062) (Fe3.549 Al5.451) Si6 B3 O30.7 F.3 H3.23
compound: Blocherleitengraben, Lower Austria
formula_title: <missing>
a: 16.043
b: 16.043
c: 7.2470
alpha: 90
beta: 90
gamma: 120
cell_volume: 1615.325
crystal_density: 3.301
atoms_aniso_u11: cFwBAHBcAQC4jQAAuI0AAMhVAADIVQAAuFEAAEBqAABgsgEAYLIBAGCyAQCA7QAAYGcBAHB7AADA8wAAwKgAAPCHAACAVwAA
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atoms_aniso_u13: AAAAAAAAAAAwwf//MMH//6j9//+o/f//mPT//9AHAAAAAAAAAAAAAAAAAABABgAAoCgAAFj4///AEgAAoPb//5DP//+gDwAA
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pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls2

atoms_sites:
["NaX", "CaX", "FeY", "AlY", "AlZ", "FeZ", "SiT", "B", "O1", "O-H1", "F1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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qdat:
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formula: (Na.97 Ca.03) (Fe3.534 Al5.466) Si6 B3 O31
compound: Blocherleitengraben, Lower Austria
formula_title: <missing>
a: 15.917
b: 15.917
c: 7.2520
alpha: 90
beta: 90
gamma: 120
cell_volume: 1591.149
crystal_density: 3.335
atoms_x: AAAAAAAAAAAItAcACLQHAOgoEgDoKBIAaKoLALi5BgAAAAAAALYDANDjDwAAvgUAEBwLACC2CwCQchEAoMYMAA==
atoms_y: AAAAAAAAAAAY2gMAGNoDADizDwA4sw8A+JwLAJhzDQAAAAAAAGwHAOjxBwDYewsACI4FAJBfCwB4ZxEA4H0QAA==
atoms_z: aGINAGhiDQDYsCYA2LAmAGjrJABo6yQAQBUAANCqGwAwpi4A+JkdALjhHwCovAQAIDUFAIiJLwDorgQA0N0aAA==
atoms_occupancy: QDQ7AMDUAQCAMCwAgNgQACAuLwDg2g0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: cEMBAHBDAQDomQAA6JkAAGByAABgcgAAkFYAAPBuAABgnwAAIJQAALCkAABAlwAAEJ8AADCEAACYhQAAMI4AAA==
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atoms_aniso_u12: cK0AAHCtAADYYwAA2GMAABAxAAAQMQAAoCgAAAAyAADQUgAAYCwAABByAABgbQAAUHgAABBAAACQGgAAIDUAAA==
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atoms_aniso_u23: AAAAAAAAAABA1P//QNT//1ggAABYIAAAaPf//5ABAAAAAAAAIAMAAND9//8Q9f//4AsAABD1//9g8P//gCUAAA==
pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls2h1, heated in air at 700 C for 10 h

atoms_sites:
["NaX", "CaX", "FeY", "AlY", "AlZ", "FeZ", "SiT", "B", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

atoms_aniso_label:
["NaX", "CaX", "FeY", "AlY", "AlZ", "FeZ", "SiT", "B", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

qdat:
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formula: (Na.971 Ca.029) (Fe3.522 Al5.478) Si6 B3 O31
compound: Blocherleitengraben, Lower Austria
formula_title: <missing>
a: 15.918
b: 15.918
c: 7.2600
alpha: 90
beta: 90
gamma: 120
cell_volume: 1593.105
crystal_density: 3.330
atoms_x: AAAAAAAAAAAYrgcAGK4HAAgnEgAIJxIAKKkLAHi4BgAAAAAAwLQDAIjWDwBYwAUAaBkLAPCuCwC4chEAcMQMAA==
atoms_y: AAAAAAAAAAAg1wMAINcDAHivDwB4rw8AkJsLABhxDQAAAAAAWGkHADDrBwCwgAsAoIwFAChZCwCIZhEAmHoQAA==
atoms_z: 8GsNAPBrDQAAuyYAALsmABDkJAAQ5CQA6BIAAECpGwAwjS4AmKQdAIjkHwCQwAQAMDQFAOCGLwBopwQAWNMaAA==
atoms_occupancy: 4EM7ACDFAQCAQikAgMYTAGDWLQCgMg8AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: kEYBAJBGAQCwmgAAsJoAANh3AADYdwAAMFwAAHB7AABAnAAAQJwAAFCqAABgnwAAoKUAAMCKAABQjAAAKJsAAA==
atoms_aniso_u11: AF4BAABeAQBAxAAAQMQAAIhUAACIVAAA0FcAADB1AAAAlgAAYJ8AAHDfAABQeAAAwPMAANCdAAAwdQAAwF0AAA==
atoms_aniso_u22: AF4BAABeAQA4dwAAOHcAAOiUAADolAAAaFYAALBoAAAAlgAAAGQAAPCgAAAg5AAAkH4AAHCUAACAcAAAoIwAAA==
atoms_aniso_u33: IBYBACAWAQBgrgAAYK4AAMBxAADAcQAAcGcAAOCSAACgpQAAEL0AAOCSAACgpQAAMKcAAJBlAACwmgAA4N0AAA==
atoms_aniso_u12: AK8AAACvAAAgYgAAIGIAABAxAAAQMQAAYCwAAJAzAAAASwAAADIAAIBwAAAQcgAA4HkAAFBGAACwHQAAkDMAAA==
atoms_aniso_u13: AAAAAAAAAACIr///iK///6gCAACoAgAAOPr//yADAAAAAAAAkAEAAHD+//+Q9///UBQAABD1///Q7v//QAYAAA==
atoms_aniso_u23: AAAAAAAAAADY1///2Nf//9giAADYIgAAGPf//7AEAAAAAAAAIAMAAHD+///Q7v//8AoAAKD2//+w6///8CMAAA==
pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls2h2, heated a second time in air at 750 C for 72 h

atoms_sites:
["NaX", "CaX", "FeY", "AlY", "AlZ", "FeZ", "SiT", "B", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

qdat:
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formula: Na.666 Al7.767 Mn1.233 Si6 B3 F.57 O30.43 H6
compound: Elba, Italy
formula_title: <missing>
a: 15.951
b: 15.951
c: 7.1380
alpha: 90
beta: 90
gamma: 120
cell_volume: 1572.834
crystal_density: 3.159
atoms_x: AAAAAMB4NQDAeDUAmNgqAAhTMQCQUjYAAAAAAAAAAAAQSDkAMK0sAPhSNwDgmDEACP4wAKiaKwDANzAAoPssAA==
atoms_y: AAAAAOBAOQDgQDkAmBctAAhxMQAgnC8AAAAAAAAAAABIhzUAGNs0APCcMQDwUDcAKJwxAPCTKwDogSwAcAU1AA==
atoms_z: IBUvAGCxFgBgsRYAELAXAGDvPACwOCEAkGINAJBiDQB4WR8AONwdADCrOAB4VTcAEKENAFgaOACADSIAoCslAA==
atoms_occupancy: QKYoACDzIwDgFRkAAAk9AAAJPQAACT0AQMoiAMA+GgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: cHUBABiSAAAYkgAAEFQAAAhNAACQZQAAcLoCAHC6AgBAGQEAOLgAAFiOAACYlAAAMH8AAFhwAACohAAAIMUBAA==
atoms_aniso_label: ["NaX", "AlY", "MnY", "AlZ", "SiT", "B", "F1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_aniso_u11: AJABAPiJAAD4iQAAWFIAABhMAABAagAA0L0DANC9AwAQtwEAAF4BALBoAABA5wAAYIYAAABkAAAQWQAA
atoms_aniso_u22: AJABAEhiAABIYgAAMFwAAKhIAACQTAAA0L0DANC9AwBgVAAAMKcAAIDUAADwbgAAkJcAAJBlAABwrQAA
atoms_aniso_u33: cEMBACjXAAAo1wAAAEsAAFhSAABgbQAAQLUAAEC1AAAgywAA4GAAAFCRAADAjwAAsE8AAEBqAADAjwAA
atoms_aniso_u12: AMgAAOhEAADoRAAAuCkAAAglAAAQJwAAIN4BACDeAQAwKgAAAK8AAEBqAACgcwAAYDsAALAdAADgRwAA
atoms_aniso_u13: AAAAAGjU//9o1P//AAAAACj7//+ABwAAAAAAAAAAAACABwAAUPv//7jy//8QDgAAsAQAAOD8//8QDgAA
atoms_aniso_u23: AAAAAEjq//9I6v//OAkAADD4//+gDwAAAAAAAAAAAACgDwAAgP3//3Dl//9YBwAAcP7//9Du//+QMwAA
pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample mnelb3

atoms_sites:
["NaX", "AlY", "MnY", "AlZ", "SiT", "B", "F1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

qdat:
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formula: Na.674 (Al7.728 Mn1.272) Si6 B3 F.14 O30.86 H6
compound: Elba, Italy
formula_title: <missing>
a: 15.852
b: 15.852
c: 7.1480
alpha: 90
beta: 90
gamma: 120
cell_volume: 1555.547
crystal_density: 3.194
atoms_x: AAAAAJh9NQCYfTUAIOwqACDsKgBgWjEAqFM2AAAAAAAAAAAA6FE5AFAyLQA4QDcAALUxAMBAMQD4iysA0DswAGDWLQA=
atoms_y: AAAAADhDOQA4QzkAiDstAIg7LQAwcTEAeJ4vAAAAAAAAAAAA0Jo1AKgdNQBwdzEAAF83AKC/MQBgkisAwIEsANByNQA=
atoms_z: YE0vAIBaFgCAWhYAAPIXAADyFwDw4TwAkFghADBsDgAwbA4AmC8fALiYHQCYSDgAGGA3AHiiDQAIRzgAODciAMD2JQA=
atoms_occupancy: QCMpAEAXKwDA8REAYBE5AKD3AwAACT0AAAk9AICLCACAfTQAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: UHIBACCAAAAggAAACGsAAAhrAAAYUQAAgGYAAGDqAABg6gAAsLMAAFi2AAComAAACKcAADB/AACgcwAAiHwAACAwBQA=
atoms_aniso_u11: AJABAJCcAACQnAAAkFEAAJBRAAD4TQAAoFoAAMDzAADA8wAAENYAAAAsAQBgbQAAMAsBAJB+AAAgZwAAQFEAAA==
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pub_title:
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample mnelb3h, heated in air at 750 C for 30 h

atoms_sites:
["NaX", "AlY", "MnY", "AlZ", "MnZ", "SiT", "B", "F1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

atoms_aniso_label:
["NaX", "AlY", "MnY", "AlZ", "MnZ", "SiT", "B", "F1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

qdat:
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formula: K.201 N.78 H3 Al2.872 Si3.128 O12
compound: Ordovician Armorican sandstones, Brittany, France
formula_title: <missing>
a: 9.024
b: 5.2055
c: 20.825
alpha: 90
beta: 99.995
gamma: 90
cell_volume: 963.396
crystal_density: 2.614
atoms_sites: ["K", "N", "H", "AlM2", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "O5", "O-H6"]
atoms_x: AAAAAAAAAAAAAAAAYAQFAABsBwAAbAcAoO4RAKDuEQAgswQAwHoQAODmCwDArxwAACMPAIBZOgA=
atoms_y: QPUGAED1BgBA9QYAwDUPAMC3IwDAtyMAgGUGAIBlBgDADiIAAE0IAACIEwCACAkAwK4xAKB6AwA=
atoms_z: QEIPAEBCDwBAQg8A4Pz//0AICABACAgAYAsIAGALCADgNQMAADkDAIACCgCQ9wkAMFgJAADuAgA=
atoms_occupancy: oEQMAICbLwAAbr4AAAk9AMC6LwBATg0AwLovAEBODQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: kJEBAJCRAQCQkQEAUKoAAGC4AABguAAAkMkAAJDJAADAwQAAQAABAHBDAQAQCAEAUNwAABDvAAA=
atoms_aniso_label: ["K", "N", "H", "AlM2", "SiT1", "AlT1", "SiT2", "AlT2"]
atoms_aniso_u11: MNMBADDTAQAw0wEA8IcAAABLAAAASwAA0IQAANCEAAA=
atoms_aniso_u22: 4CgBAOAoAQDgKAEAgD4AACBOAAAgTgAAoA8AAKAPAAA=
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atoms_aniso_u12: AAAAAAAAAAAAAAAAoA8AAGDw//9g8P//oA8AAKAPAAA=
atoms_aniso_u13: YPD//2Dw//9g8P//gD4AAGBtAABgbQAAIE4AACBOAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAA4C4AAKAPAACgDwAAYPD//2Dw//8=
pub_title:
 Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican
 sandstones (Brittany, France): Structure and crystal chemistry
 Note: sample tob_7

qdat:
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formula: K.465 Na.03 Ba.01 N.36 H2.86 Al2.73 Si3.128 O11.236
compound: Ordovician Armorican sandstones, Brittany, France
formula_title: <missing>
a: 9.027
b: 5.1999
c: 20.616
alpha: 90
beta: 100.113
gamma: 90
cell_volume: 952.670
crystal_density: 2.576
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAADgEAUAAIUHAACFBwBA/hEAQP4RAJDKBAAAgRAAwPwLACDSHAAwNA8AcGQ6AA==
atoms_y: IFwGACBcBgAgXAYAIFwGACBcBgBAQg8AgMojAIDKIwDwYwYA8GMGAMAOIgCgXAgAwGgTAIAICQAgnzEA0KQDAA==
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atoms_aniso_label: ["K", "Na", "Ba", "N", "H", "AlM2", "SiT1", "AlT1", "SiT2", "AlT2"]
atoms_aniso_u11: 4KUBAOClAQDgpQEA4KUBAOClAQAgywAA0LYAANC2AADA2gAAwNoAAA==
atoms_aniso_u22: AHcBAAB3AQAAdwEAAHcBAAB3AQAAfQAA4KsAAOCrAADgqwAA4KsAAA==
atoms_aniso_u33: 4CICAOAiAgDgIgIA4CICAOAiAgAgywAAAPoAAAD6AADgKAEA4CgBAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAADwCgAAwBIAAMASAADA4P//wOD//w==
atoms_aniso_u13: AEsAAABLAAAASwAAAEsAAABLAABQLQAAQDgAAEA4AADQUgAA0FIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAABAHwAA8AoAAPAKAADQ7v//0O7//w==
pub_title:
 Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican
 sandstones (Brittany, France): Structure and crystal chemistry
 Note: sample musc_4

atoms_sites:
["K", "Na", "Ba", "N", "H", "AlM2", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "O5", "O-H6"]

qdat:
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formula: Bi9 Cl43.728 Br4.272 N17.373 H21 K3.627
compound: La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 13.093
b: 13.093
c: 102.682
alpha: 90
beta: 90
gamma: 120
cell_volume: 15244.153
crystal_density: 2.731
atoms_aniso_u11: ePAAAJjZAQAgBwEAwKIBAOClAQCg8AAA0E0FANBNBQAwVgEAIK0FACCtBQCQZgQAkGYEACDYAgBgegIA
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atoms_aniso_u12: QIgAALjsAACQgwAAEGwBALBPAABwewAA0JECANCRAgBwrQAAkNYCAJDWAgCAyAIAgMgCAHAkAgCQFAEA
atoms_aniso_u13: MPj//wAAAAAAAAAA4BUAAOAVAABABgAAsAQAALAEAADw8f//kM///5DP//+QyQAAkMkAAMB8///wHQEA
atoms_aniso_u23: YPD//wAAAAAAAAAAoA8AAFDi//8AJf7/UNwAAFDcAADA+f//kOj//5Do///w6wAA8OsAAEDU//9Au///
pub_title:
 Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano,
 Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion

atoms_sites:
["Bi1", "Bi2", "Bi3", "Cl1", "Cl2", "Cl3", "Cl4", "Br4", "Cl5", "Cl6", "Br6", "Cl7", "Br7", "Cl8", "Cl9", "N1", "H1", "N2", "H2", "K2", "N3", "H3", "K3", "N4", "H4", "K4", "N5", "H5", "N6", "H6"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
["Bi1", "Bi2", "Bi3", "Cl1", "Cl2", "Cl3", "Cl4", "Br4", "Cl5", "Cl6", "Br6", "Cl7", "Br7", "Cl8", "Cl9"]

qdat:
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formula: K12.636 Na30.232 Ca6.986 Si36 Al36 O169.914 S14.656 H3.76
compound: Valle Biachella, Sacrofano community (Rome, Latium, Italy)
formula_title: <missing>
a: 12.8770
b: 12.8770
c: 95.244
alpha: 90
beta: 90
gamma: 120
cell_volume: 13677.214
crystal_density: 2.420
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:
 Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
 stacking sequence: Occurrence and crystal structure

atoms_sites:
["K1", "Na1", "Na2A", "Ca2B", "Ca3", "Na4A", "Ca4B", "Na5A", "Ca5B", "Na6A", "K6B", "Na6B", "Na7A", "Ca7B", "Na8A", "Na8B", "Na8C", "K9A", "Na9A", "Na9B", "Na1C", "Na1D", "Na1E", "Na1F", "K1G", "Na1G", "Na1K", "K1L", "Na1L", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "Al1", "Al2", "Al3", "Al4", "Al5", "Al6", "Al7", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "Wat25", "S1", "O1SA", "O1SB", "S2", "O2SA", "O2SB", "S3", "O3SA", "O3SB", "S4", "O4SA", "O4SB", "S5", "O5SA", "O5SB", "S6", "O6SA", "O6SB"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: Zn Al2 O4
compound: Synthetic
formula_title: <missing>
a: 8.08514
b: 8.08514
c: 8.08514
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.521
crystal_density: 4.608
atoms_sites: ["ZnT", "AlM", "O"]
atoms_x: IKEHAICEHgAwJBAA
atoms_y: IKEHAICEHgAwJBAA
atoms_z: IKEHAICEHgAwJBAA
atoms_occupancy: 0
atoms_u_iso: 0FIAAMArAACQZQAA
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:
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.000, Co content = 0.00 apfu


formula: Zn.75 Co.25 Al2 O4
compound: Synthetic
formula_title: <missing>
a: 8.09014
b: 8.09014
c: 8.09014
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.503
crystal_density: 4.559
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCwIRAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCwIRAA
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCwIRAA
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.025, Co content = 0.25 apfu

qdat:
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formula: Zn.5 Co.5 Al2 O4
compound: Synthetic
formula_title: <missing>
a: 8.09491
b: 8.09491
c: 8.09491
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.440
crystal_density: 4.511
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgBYHxAA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.035, Co content = 0.50 apfu

qdat:
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formula: Zn.25 Co.75 Al2 O4
compound: Synthetic
formula_title: Zn.25Co.75Al2O4
a: 8.10011
b: 8.10011
c: 8.10011
alpha: 90
beta: 90
gamma: 90
cell_volume: 531.463
crystal_density: 4.462
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCIHBAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCIHBAA
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCIHBAA
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atoms_aniso_u23: 0
pub_title:
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.049, Co content = 0.75 apfu


formula: (Co Al2) O4
compound: Synthetic
formula_title: CoAl2O4
a: 8.10559
b: 8.10559
c: 8.10559
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.542
crystal_density: 4.413
atoms_sites: ["CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAIAaEAA=
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.072, Co content = 1.00 apfu


formula: Ca V Si4 O15 H7
compound: Deccan basalts, Wagholi, India
formula_title: <missing>
a: 9.794
b: 13.670
c: 9.643
alpha: 90
beta: 90
gamma: 90
cell_volume: 1291.043
crystal_density: 2.317
atoms_x: 0AIFALCgGACAzwUAoEwTAHBEBQAQ7REAYGEbAFAjCgBwUgsAILQhAEC9OQBw2BYAQHAxAEBwMQBAcDEAQHAxAA==
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pub_title:
 Polymorphic relation between cavanite and pentagonite:
 genetic implications of oxonium ion in cavansite

atoms_sites:
["Ca", "V", "Sil", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O-H7", "Wat8", "O9", "H91", "H92", "H93"]

atoms_aniso_label:
["Ca", "V", "Sil", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O-H7", "Wat8", "O9", "H91", "H92", "H93"]

qdat:
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formula: Ca V Si4 O15 H8
compound: Deccan basalts, Wagholi, India
formula_title: <missing>
a: 10.376
b: 14.062
c: 8.984
alpha: 90
beta: 90
gamma: 90
cell_volume: 1310.831
crystal_density: 2.287
atoms_sites: ["Ca", "V", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "Wat7", "Wat8", "Wat9"]
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 Polymorphic relation between cavanite and pentagonite:
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = Untreated min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 0 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 60 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 360 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 960 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 2460 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 5340 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 11,100 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 22,620 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 35,340 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 52,620 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 67,020 min


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compound: <missing>
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 97,260 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 339,180 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 0 min


formula: (Al1.609 Mg Fe.391) O4
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 3 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 9 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 21 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 45 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 93 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 189 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 381 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 765 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 1533 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 3069 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 6141 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 46,161 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 0 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 3 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 6 min


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compound: <missing>
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 9 min


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compound: <missing>
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 15 min


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compound: <missing>
formula_title: <missing>
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atoms_sites: ["AlM", "MgM", "Fe3+M", "MgT", "AlT", "Fe3+T", "O"]
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 30 min

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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 60 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 120 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 240 min


formula: Al1.61 Mg Fe.388 O4
compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1680 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 17,520 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 0 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 60 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 360 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 960 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 2460 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 5340 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 11,100 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 22,620 min


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compound: <missing>
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alpha: 90
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 35,340 min


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compound: <missing>
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alpha: 90
beta: 90
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crystal_density: 3.846
atoms_sites: ["AlM", "MgM", "Fe3+M", "MgT", "AlT", "Fe3+T", "O"]
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 52,620 min

qdat:
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 67,020 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 97,260 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 339,180 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 0 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 3 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 9 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 21 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 45 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 93 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 189 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 381 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 765 min


formula: Al1.457 Mg Fe.541 O4
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 1533 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 3069 min


formula: (Al1.46 Mg1.001 Fe.539) O4
compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 6141 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 46,161 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 0 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 3 min


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formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 6 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 9 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 15 min

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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 30 min


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compound: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 60 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 120 min


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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 240 min


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compound: <missing>
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1680 min


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compound: <missing>
formula_title: <missing>
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pub_title:
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 17,520 min


formula: Mg Al2 As2 O18 H18
compound: Aghbar, Anti-Atlas, Morocco
formula_title: <missing>
a: 5.4363
b: 10.500
c: 7.075
alpha: 97.701
beta: 110.295
gamma: 102.021
cell_volume: 360.987
crystal_density: 2.458
atoms_occupancy: 0
atoms_aniso_label: ["Mg", "Al1", "Al2", "As", "O-h1", "O2", "O3", "O4", "O5", "Ow6", "Ow7", "Ow8", "Ow9"]
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pub_title:
 Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O,
 from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group

atoms_sites:
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formula: Pb13.44 Sb15.56 S36 O.18
compound: the Low Tatra Mountains, Western Carpathians, Slovakia
formula_title: <missing>
a: 48.19
b: 4.110
c: 34.24
alpha: 90
beta: 106.059
gamma: 90
cell_volume: 6516.969
crystal_density: 5.949
pub_title:
 Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from
 the Low Tatra Mountains, Western Carpathians, Slovakia

atoms_sites:
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formula: Mg.31 Fe2.16 Si.53 O4
compound: Synthetic
formula_title: <missing>
a: 5.8319
b: 11.8873
c: 8.3522
alpha: 90
beta: 90
gamma: 90
cell_volume: 579.021
crystal_density: 4.750
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pub_title:
 Structural systematics of spinel and spinelloid phases in the system
 MFe2O4-M2SiO4 with M = Fe2+ and Mg
 Sample: 8f5v0128, Spinelloid-III

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compound: Synthetic
formula_title: <missing>
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b: 17.9793
c: 8.3779
alpha: 90
beta: 90
gamma: 90
cell_volume: 881.269
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pub_title:
 Structural systematics of spinel and spinelloid phases in the system
 MFe2O4-M2SiO4 with M = Fe2+ and Mg
 Sample: 4f8b1195, Spinelloid-II

atoms_sites:
["MgM1", "FeM1", "MgM2", "FeM2", "MgM3", "FeM3", "MgM4", "FeM4", "SiT1", "FeT1", "SiT2", "FeT2", "O1", "O2", "O3", "O4", "O5"]

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pub_title:
 Structural systematics of spinel and spinelloid phases in the system
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pub_title:
 In situ analysis of garnet inclusion in diamond using
 single-crystal X-ray diffraction and X-ray micro-tomography
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pub_title:
 In situ analysis of garnet inclusion in diamond using
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pub_title:
 Use of modern X-ray equipment to solve fine problems of structural
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compound: Christmas Mine, Gila County, Arizona, USA
pub_title: Redetermination of junitoite, CaZn2Si2O7*H2O
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formula: (Y1.3 Dy.4 Ca.3) Si2 Be2 Fe.242 O10
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pub_title:
 Hingganite-(Ce) and hingganite-(Y) from Tahara, Hirukawa-mura, Gifu Prefecture, Japan:
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compound: Eifel, Germany
pub_title: Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany
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pub_title:
 Crystal-structure properties and the molecular nature of
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 Crystal-structure properties and the molecular nature of
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pub_title:
 Crystal-structure properties and the molecular nature of
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pub_title:
 Crystal-structure properties and the molecular nature of
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 Note: P = 3.97 GPa

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pub_title:
 Crystal-structure properties and the molecular nature of
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 A variable-temperature neutron diffraction study of ussingite;
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formula: Tm C (O4 H)
compound: Synthetic
pub_title: Crystal chemistry of RE(CO3)OH
formula_title: Tm(CO3)OH
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b: 9.3951
c: 7.7546
alpha: 90
beta: 90
gamma: 90
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formula: Yb C (O4 H)
compound: Synthetic
pub_title: Crystal chemistry of RE(CO3)OH
formula_title: Yb(CO3)OH
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formula: Cr O2 H
compound: synthetic at 4.0 GPa and 600 deg C for 24 hours
formula_title: <missing>
a: 4.8623
b: 4.2972
c: 2.9567
alpha: 90
beta: 90
gamma: 90
cell_volume: 61.778
crystal_density: 4.570
atoms_sites: ["Cr", "O1", "O2", "H"]
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pub_title:
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run LT9

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formula: Cr O2 H2
compound: synthetic at 4.0 GPa and 600 deg C for 24 hours
formula_title: <missing>
a: 4.8623
b: 4.2972
c: 2.9567
alpha: 90
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cell_volume: 61.778
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pub_title:
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run LT9

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formula: Cr O2 H2
compound: synthetic at 4.0 GPa and 600 deg C for 24 hours
formula_title: <missing>
a: 4.8691
b: 4.3184
c: 2.9594
alpha: 90
beta: 90
gamma: 90
cell_volume: 62.226
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pub_title:
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run #630

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formula: U2 (As1.78 P.22) (Ni.69 Mg.31) O22 H20
compound: Belorechenskoye deposit, Northern Caucasus, Russia
formula_title: <missing>
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b: 7.125
c: 19.955
alpha: 92.406
beta: 94.924
gamma: 90.420
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crystal_density: 3.426
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pub_title:
 New nickel-uranium-arsenic mineral species from the oxidation zone of
 the Belorechenskoye deposit, Northern Caucasus, Russia: I.
 Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group

atoms_sites:
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formula: U2 As2 (Ni.6 Mg.4) O17 H14
compound: Belorechenskoye deposit, Northern Caucasus, Russia
formula_title: <missing>
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b: 6.985
c: 6.594
alpha: 90
beta: 99.89
gamma: 90
cell_volume: 812.659
crystal_density: 3.911
atoms_sites: ["U", "As", "Ni", "Mg", "O1", "O2", "O3", "O4", "Wat1", "Wat2", "Wat3", "Wat4"]
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pub_title:
 New nickel-uranium-arsenic mineral species from the oxidation zone of
 the Belorechenskoye deposit, Northern Caucasus, Russia: II.
 Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite

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formula: As Sb O3
compound: Tsumeb, Namibia
pub_title: Crystal structure and bonding in the new mineral AsSbO3
formula_title: <missing>
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b: 13.1288
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formula: As2 O3
compound: Jachymov, Erzgebirge, Czech Republic
pub_title: Crystal structure and bonding in the new mineral AsSbO3
formula_title: <missing>
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b: 13.0012
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alpha: 90
beta: 94.329
gamma: 90
cell_volume: 314.830
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formula: Na.76 Ca.05 K.01 Fe1.896 Al6.591 Mn.288 Ti.12 Li.069 Zn.009 Mg.228 Si5.772 B3.018 F.58 O30.42 H3.18
compound: Konigsalm, Moldanubian nappes, Lower Austria
formula_title: <missing>
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b: 15.987
c: 7.163
alpha: 90
beta: 90
gamma: 120
cell_volume: 1585.475
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pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample TK12

atoms_sites:
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formula: Na.37 Fe1.188 Al6.873 Mg.819 Mn.081 Li.021 Ti.009 Zn.009 Si5.958 B3 F.05 O30.95 H5.85
compound: Konigsalm, Moldanubian nappes, Lower Austria
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
cell_volume: 1574.866
crystal_density: 3.124
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample TK3

atoms_sites:
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formula: Na.49 Fe1.2 Al6.696 Mg1.032 Mn.039 Li.009 Ti.009 Si5.952 B3 O30.97 F.03 H3.91
compound: Konigsalm, Moldanian nappes, Lower Austria
formula_title: <missing>
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b: 15.9476
c: 7.1578
alpha: 90
beta: 90
gamma: 120
cell_volume: 1576.525
crystal_density: 3.117
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample TK42

atoms_sites:
["NaX", "Fe2+Y", "AlY", "MgY", "Fe3+Y", "Mn2+Y", "LiY", "Ti4+Y", "AlZ", "MgZ", "SiT", "AlT", "B", "O-H1", "F1", "O1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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formula: Na.61 Ca.01 K.01 Fe3.258 Al7.872 Mg.318 Ti.24 Mn.222 Zn.078 Li.06 Si5.652 B3 O39.74 F.26 H3.74
compound: Maigen, Moldanubian nappes, Lower Austria
formula_title: <missing>
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b: 15.9783
c: 7.1507
alpha: 90
beta: 90
gamma: 120
cell_volume: 1581.031
crystal_density: 4.039
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample MASR

atoms_sites:
["NaX", "CaX", "KX", "Fe2+Y", "AlY", "MgY", "Ti4+Y", "Mn2+Y", "Fe3+Y", "ZnY", "LiY", "AlZ", "Fe3+Z", "MgZ", "SiT", "AlT", "B", "O-H1", "F1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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formula: Na.56 Ca.01 K.01 Al8.922 Fe1.338 Mn.798 Li.42 Zn.06 Ti.018 Si5.568 B6.15 F.26 O42.74 H8.22
compound: Maigen, Moldanubian nappes, Lower Austria
formula_title: <missing>
a: 15.8830
b: 15.8830
c: 7.1093
alpha: 90
beta: 90
gamma: 120
cell_volume: 1553.183
crystal_density: 4.171
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample MAG

atoms_sites:
["NaX", "CaX", "KX", "AlY", "Fe3+Y", "Mn2+Y", "Fe2+Y", "LiY", "ZnY", "Ti4+Y", "AlZ", "SiT", "AlT", "BT", "B", "F1", "O1", "H1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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formula: Na.84 Ca.02 Al7.392 Li.78 Mn.651 Ti.009 Si5.922 B3.042 F.81 O30.19 H3.19
compound: Maigen, Moldanubian nappes, Lower Austria
formula_title: <missing>
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c: 7.1202
alpha: 90
beta: 90
gamma: 120
cell_volume: 1556.681
crystal_density: 3.079
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample MAP12

atoms_sites:
["NaX", "CaX", "AlY", "LiY", "Mn2+Y", "Ti4+Y", "AlZ", "SiT", "AlT", "BT", "B", "F1", "O-H1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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atoms_z:
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formula: Na.89 Ca.05 K.01 Al8.37 Li1.182 Fe1.122 Mn.96 Ti.078 Zn.018 Si5.868 B6.06 F.79 O42.21 H6.03
compound: Blocherleitengraben, Moldanubian nappes, Lower Austria
formula_title: <missing>
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b: 15.9107
c: 7.1267
alpha: 90
beta: 90
gamma: 120
cell_volume: 1562.420
crystal_density: 4.158
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:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample BLG1

atoms_sites:
["NaX", "CaX", "KX", "AlY", "LiY", "Fe2+Y", "Mn2+Y", "Ti4+Y", "ZnY", "AlZ", "SiT", "AlT", "BT", "B", "F1", "O1", "O-H1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

atoms_x:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Na.76 Ca.12 Al9.024 Li1.38 Mn.858 Fe.18 Ti.018 Si5.712 B6.288 F.69 O42.31 H6.31
compound: Blocherleitengraben, Moldanubian nappes, Lower Austria
formula_title: <missing>
a: 15.8430
b: 15.8430
c: 7.1051
alpha: 90
beta: 90
gamma: 120
cell_volume: 1544.457
crystal_density: 4.058
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:
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample BLP1

atoms_sites:
["NaX", "CaX", "AlY", "LiY", "Mn2+Y", "Fe2+Y", "AlZ", "Ti4+Z", "SiT", "BT", "B", "F1", "O-H1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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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qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.595
b: 3.595
c: 3.595
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.462
crystal_density: 7.984
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAACAAABAAAAAAAAAAAAAAAEAAAAAAAAAAgAAIAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAAABA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.583
b: 3.583
c: 3.583
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.998
crystal_density: 8.064
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_occupancy: 0
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 8.36 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.569
b: 3.569
c: 3.569
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.461
crystal_density: 8.160
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 10.08 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAAIAAAAAAAAABAAAQAAAAAAAAAAACAAAAAAAAEAAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.557
b: 3.557
c: 3.557
alpha: 90
beta: 90
gamma: 90
cell_volume: 45.004
crystal_density: 8.242
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 11.66 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAABAAAAAAAAAAIAACAAAAAAAAAAAAIAAAAAAAAgAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.551
b: 3.551
c: 3.551
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.777
crystal_density: 8.284
atoms_sites: ["Fe"]
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atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 12.71 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.545
b: 3.545
c: 3.545
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.550
crystal_density: 8.326
atoms_sites: ["Fe"]
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atoms_y: AAAAAA==
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAAAQAAAAAAAAABAAAQAAAAAAAAAAACAAAAAAAAEAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.539
b: 3.539
c: 3.539
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.324
crystal_density: 8.369
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 14.45 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAIAAAAAAAAAAgAAIAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.533
b: 3.533
c: 3.533
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.099
crystal_density: 8.412
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 15.58 GPa, T = 1273 K


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.527
b: 3.527
c: 3.527
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.875
crystal_density: 8.455
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 16.63 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAEAAABAAAAAAAAAAAAAAACAAAAAAAAAAEAABAAAAAAAAAAAAEAAAAAAAAIAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.521
b: 3.521
c: 3.521
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.651
crystal_density: 8.498
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 17.59 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAAAgAAAAAAAAACAAAgAAAAAAAAAAACAAAAAAAAEAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.514
b: 3.514
c: 3.514
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.392
crystal_density: 8.549
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 18.69 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAABAAAAIAAAAAAAAAAAAAAAQAAAAAAAAABAAAIAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.509
b: 3.509
c: 3.509
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.207
crystal_density: 8.585
atoms_sites: ["Fe"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 19.70 GPa, T = 1273 K

qdat:
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formula: Fe
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 20.64 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 21.57 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 23.17 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 24.19 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 25.01 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 25.72 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 26.55 GPa, T = 1273 K

qdat:
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 27.44 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 6.81 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAACAAABAAAAAAAAAAAAAAAEAAAAAAAAAAgAAIAAAAAAAAAAACAAAAAAAAIAAAAAAAAAAAABA==


formula: Fe
compound: Synthetic
formula_title: <missing>
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 8.36 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 10.08 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 11.66 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAABAAAAAAAAAAIAACAAAAAAAAAAAAIAAAAAAAAgAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.551
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 12.71 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.545
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beta: 90
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 13.63 GPa, T = 1273 K


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.539
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c: 3.539
alpha: 90
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gamma: 90
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 14.45 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAIAAAAAAAAAAgAAIAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 15.58 GPa, T = 1273 K


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.527
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gamma: 90
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 16.63 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 17.59 GPa, T = 1273 K


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.514
b: 3.514
c: 3.514
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gamma: 90
cell_volume: 43.392
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atoms_sites: ["Fe"]
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 18.69 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 20.64 GPa, T = 1273 K

qdat:
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formula: Fe
compound: Synthetic
formula_title: <missing>
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atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 21.57 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAACAAAAAAAAAAEAABAAAAAAAAAAAACAAAAAAAACAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
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gamma: 90
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atoms_sites: ["Fe"]
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 22.44 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAIAAABAAAAAAAAAAAAAAABAAAAAAAAAACAAAgAAAAAAAAAAABAAAAAAAACAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.490
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alpha: 90
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gamma: 90
cell_volume: 42.509
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atoms_sites: ["Fe"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 23.17 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAEAAAAgAAAAAAAAAAAAAAAgAAAAAAAAABAAAQAAAAAAAAAAAAgAAAAAAABAAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.485
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alpha: 90
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gamma: 90
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 24.19 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAACAAAAQAAAAAAAAAAAAAAAQAAAAAAAAAAgAAIAAAAAAAAAAAAIAAAAAAAAQAAAAAAAAA==


formula: Fe
compound: Synthetic
formula_title: <missing>
a: 3.480
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atoms_sites: ["Fe"]
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 25.01 GPa, T = 1273 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAAAIAAAAAAAAAAQAACAAAAAAAAAAAAIAAAAAAAAIAAAAAAAAA==


formula: Fe
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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 25.72 GPa, T = 1273 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 26.55 GPa, T = 1273 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 27.44 GPa, T = 1273 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 4.73 GPa, T = 1073 K


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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 6.41 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 8.02 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 9.90 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 11.48 GPa, T = 1073 K


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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 15.37 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 17.47 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K

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pub_title:
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 24.37 GPa, T = 1073 K

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 Structural refinement of hydrous and anhydrous synthetic beryl,
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pub_title:
 Structural refinement of hydrous and anhydrous synthetic beryl,
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pub_title:
 Structural refinement of hydrous and anhydrous synthetic beryl,
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pub_title:
 Structural refinement of hydrous and anhydrous synthetic beryl,
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 Note: hydrous emerald

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formula: Ba.87 Sr.47 Na2.84 K.2 Ca.02 Ti2.82 Al.03 Fe.11 Nb.04 Mn.4 Mg.04 Si4 O17.35 F.65 H.89
compound: Lovozero Massif, Kola Peninsula, Russia
formula_title: <missing>
a: 19.564
b: 7.1173
c: 5.4144
alpha: 90
beta: 90
gamma: 90
cell_volume: 753.917
crystal_density: 3.552
pub_title:
 From structure topology to chemical composition. IV. Titanium silicates:
 The orthorhombic polytype of nabalamprophyllite
 from Lovozero Massif, Kola Peninsula, Russia
 Note: polytype nabalamprophyllite-2O

atoms_sites:
["BaAP", "SrAP", "NaAP", "KAP", "CaAP", "TiMH", "AlMH", "TiMO1", "FeMO1", "NbMO1", "NaMO2", "NaMO3", "MnMO3", "MgMO3", "Si", "O-H1", "F1", "O1", "O2", "O3", "O4", "O5", "O6"]

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formula: Pb Fe Ge3 O10 H4
compound: Tsumeb, Namibia
formula_title: <missing>
a: 5.8279
b: 13.6150
c: 6.3097
alpha: 90
beta: 127.314
gamma: 90
cell_volume: 398.184
crystal_density: 5.379
atoms_sites: ["Pb", "Fe", "Ge1", "Ge2", "O1", "O2", "O3", "O4", "O5H", "O6W", "H1", "H2"]
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atoms_occupancy: 0
atoms_u_iso: gOgAACh4AADIeAAAgGsAAMj1AACgyAAAwLIAACCKAACgtAAAiHYBAMDUAQDA1AEA
atoms_aniso_label: ["Pb", "Fe", "Ge1", "Ge2", "O1", "O2", "O3", "O4", "O5H", "O6W"]
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atoms_aniso_u23: AAAAANDu//+AGwAAuAEAAAAAAABI/v//2EAAAGAxAAAwGwAAAAAAAA==
pub_title:
 The crystal structure of bartelkeite, with a revised chemical formula,
 PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite

qdat:
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formula: Mg3 Ca3 Na6.56 K2.44 S9 F3 O36
compound: Tolbachik volcano, Kamchatka, Russia
pub_title: Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
a: 16.6682
b: 16.6682
c: 6.9007
alpha: 90
beta: 90
gamma: 120
cell_volume: 1660.356
crystal_density: 2.722
atoms_sites: ["Mg", "Ca", "Na", "K", "K", "Na", "S1", "S2", "F", "O1", "O2", "O3", "O4", "O5"]
atoms_x: gIQeAAAAAADg9CoAAAAAAKuwKACrsCgA0IoxADDIIAAQCiIAILkcAND2HwBwRiYAYDsyAPAiLgA=
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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: Na4 K4 Ca Fe.05 S4 N2 O24 H4
compound: Punta de Lobos, Chile
pub_title: Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile
formula_title: <missing>
a: 24.902
b: 5.3323
c: 17.246
alpha: 90
beta: 94.281
gamma: 90
cell_volume: 2283.620
crystal_density: 2.430
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
atoms_sites:
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qdat:
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formula: Ca3 (Al1.94 Fe.06) Si2.04 O10.8 F1.2 H2.64
compound: silicocarbonatite, Afrikanda Complex, Russia
formula_title: <missing>
a: 12.037
b: 12.037
c: 12.037
alpha: 90
beta: 90
gamma: 90
cell_volume: 1744.033
crystal_density: 3.287
atoms_sites: ["Ca", "AlY", "FeY", "SiZ", "O", "O-H", "F"]
atoms_x: AAAAAAAAAAAAAAAAYOMWAMDOAgDAzgIAwM4CAA==
atoms_y: QEIPAAAAAAAAAAAAAAAAANAcCQDQHAkA0BwJAA==
atoms_z: IKEHAAAAAAAAAAAAQEIPABDP/f8Qz/3/EM/9/w==
atoms_occupancy: AAk9AEA0OwDA1AEAAIEpAACBKQCAbQ0AgBoGAA==
atoms_u_iso: QAABAKDwAACg8AAA4KsAAIA4AQCAOAEAgDgBAA==
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:
 Fluorine-rich hibschite from silicocarbonatite, Afrikanda Complex, Russia:
 Crystal chemistry and conditions of crystallization

qdat:
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formula: Na2 Ca4 Nb.97 Zr.9 Ti.09 Fe.08 Mg.03 Hf.01 Si4 O17 F
compound: Prairie Lake silicocarbonatite, Ontario, Canada
formula_title: <missing>
a: 10.8459
b: 10.2260
c: 7.2727
alpha: 90
beta: 109.332
gamma: 90
cell_volume: 761.136
crystal_density: 3.461
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:
 Marianoite, a new member of the cuspidine group from the Prairie Lake
 silicocarbonatite, Ontario
 Note: ordering of elements in M1 and M2 could not be determined

atoms_sites:
["Na1", "Na2", "Ca1", "Ca2", "Ca3", "Ca4", "NbM1", "ZrM1", "TiM1", "FeM1", "MgM1", "HfM1", "NbM2", "ZrM2", "TiM2", "FeM2", "MgM2", "HfM2", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "F"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25
compound: the nepheline syenites of the Los Archipelago, Guinea
pub_title: Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
formula_title: <missing>
a: 10.8475
b: 9.9364
c: 7.1488
alpha: 90
beta: 108.392
gamma: 90
cell_volume: 731.175
crystal_density: 3.607
atoms_sites:
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formula: Zr.2 Ti1.075 Mn.725 (Ca.824 Na1.176) Si2 O8 F
compound: the nepheline syenites of the Los Archipelago, Guinea
pub_title: Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
formula_title: <missing>
a: 10.8044
b: 9.7945
c: 7.0532
alpha: 90
beta: 108.056
gamma: 90
cell_volume: 709.639
crystal_density: 3.489
atoms_sites:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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formula: Ca4.71 Na1.62 (Zr.74 Ti.26) Mn.67 Si4 O15 F3
compound: the nepheline syenites of the Los Archipelago, Guinea
pub_title: Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
formula_title: <missing>
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b: 10.991
c: 7.366
alpha: 109.43
beta: 109.60
gamma: 83.56
cell_volume: 786.429
crystal_density: 3.176
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formula: Ca3.841 (Nb.461 Ti.539) (Zr.884 Mn.116) Fe.402 Na1.733 Si4 O15.5 F2.5
compound: the nepheline syenites of the Los Archipelago, Guinea
pub_title: Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
formula_title: <missing>
a: 10.80498
b: 10.25458
c: 7.28606
alpha: 90
beta: 109.1168
gamma: 90
cell_volume: 762.779
crystal_density: 3.395
atoms_sites:
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formula: Ca2.92 Ce.54 La.24 Nd.18 Pr.06 Sm.04 Gd.04 Y.04 Na2.9 Sr.04 (Nb.75 Ta.01 Ti.24) Si4 O15.24 F2.76
compound: Kvanefjeld, Ilimaussaq alkaline complex, South Greenland
formula_title: <missing>
a: 7.468
b: 5.689
c: 18.891
alpha: 90
beta: 101.37
gamma: 90
cell_volume: 786.841
crystal_density: 3.537
pub_title:
 From structure topology to chemical composition. V. Titanium silicates:
 The crystal chemistry of nacareniobsite-(Ce)

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formula: Ca (Si2 Al2) O8
compound: Synthetic
formula_title: <missing>
a: 5.1175
b: 5.1175
c: 14.7716
alpha: 90
beta: 90
gamma: 120
cell_volume: 335.022
crystal_density: 2.758
atoms_sites: ["Ca", "Si", "Al", "O1", "O2"]
atoms_x: AAAAAFVYFABVWBQAVVgUAOCeFwA=
atoms_y: AAAAAKuwKACrsCgAq7AoAAAAAAA=
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks:
 Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure

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formula: Pb19.13 Bi.1 Sb16.47 As7.06 Tl.24 Ag1.86 Cu1.73 Hg.24 S56
compound: Pollone mine, Tuscany, Italy
formula_title: <missing>
a: 8.1891
b: 28.5294
c: 42.98
alpha: 90
beta: 94.896
gamma: 90
cell_volume: 10004.783
crystal_density: 5.791
pub_title:
 Comparative modular analysis of two complex sulfosalt structures: sterryite,
 Cu(Ag,Cu)3Pb19-(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58

atoms_sites:
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formula: Pb20.21 Ag4 As10.23 Sb13.56 S58
compound: Pollone mine, Tuscany, Italy
formula_title: <missing>
a: 8.3965
b: 27.954
c: 43.884
alpha: 90
beta: 90.061
gamma: 90
cell_volume: 10300.260
crystal_density: 5.737
pub_title:
 Comparative modular analysis of two complex sulfosalt structures: sterryite,
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atoms_sites:
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formula: Ca Zr2.5 Ti O8
compound: Zelenets mine of the South Ural massif's Kusa titanium-
pub_title: Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia
formula_title: <missing>
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b: 15.189
c: 10.111
alpha: 90
beta: 90
gamma: 90
cell_volume: 2332.666
crystal_density: 5.057
atoms_sites: ["Ca", "Zr1", "Zr2", "Ti", "O1", "O2", "O3", "O4", "O5"]
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formula: Ca.5 Al Si O4
compound: mine
formula_title: <missing>
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b: 8.951
c: 4.828
alpha: 90
beta: 90.00
gamma: 90
cell_volume: 355.231
crystal_density: 2.601
atoms_sites: ["Ca1", "Ca2", "Al1", "Al2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
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pub_title:
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pub_title:
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pub_title:
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pub_title:
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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 35.4 GPa

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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 39.7 GPa

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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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pub_title:
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
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pub_title:
 Second-order P6c2-P31c transition and structural crystallography of
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 Second-order P6c2-P31c transition and structural crystallography of
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 Second-order P6c2-P31c transition and structural crystallography of
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 Second-order P6c2-P31c transition and structural crystallography of
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 Second-order P6c2-P31c transition and structural crystallography of
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 Second-order P6c2-P31c transition and structural crystallography of
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pub_title:
 Second-order P6c2-P31c transition and structural crystallography of
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pub_title:
 Second-order P6c2-P31c transition and structural crystallography of
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pub_title:
 Second-order P6c2-P31c transition and structural crystallography of
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 Re-investigation of the crystal structure of enstatite under high-pressure conditions
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 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 0.22(3) GPa

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compound: Synthetic
formula_title: <missing>
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 1.23(4) GPa

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formula: Mg Si O3
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 2.69(5) GPa

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formula: Mg Si O3
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 4.19(4) GPa

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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 5.21(7) GPa

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formula: Mg Si O3
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 6.57(5) GPa

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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 8.26(6) GPa

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formula: Mg Si O3
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 8.65(7) GPa

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formula: Mg Si O3
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pub_title:
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 9.36(5) GPa

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pub_title:
 Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden
 Note: sample vesuvianite 1

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formula: Ca9.156 Mn.864 Bi.06 Fe.223 Al5.636 Si9 As.067 O39 Cl.064
compound: Langban,Sweden
formula_title: <missing>
a: 15.5852
b: 15.5852
c: 11.7782
alpha: 90
beta: 90
gamma: 90
cell_volume: 2860.907
crystal_density: 3.426
pub_title:
 Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden
 Note: sample vesuvianite 2

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formula: Na1.8 Pb.134 K.06 Mg4.24 Mn.57 Fe.05 Al1.898 Ca1.93 Si6.372 O24 H2
compound: Langban, Sweden
pub_title: Cation ordering in Pb2+-bearing, Mn3+-rich pargasite from Langban, Sweden
formula_title: <missing>
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c: 5.2829
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cell_volume: 912.387
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formula: Ca4.974 Na.026 (P2.844 Si.09 S.066) O12.18 F.76 Cl.06 H.18
compound: Ipira, Bahia Province, Brazil
pub_title: A multi-domain gem-grade Brazilian apatite Note: single-crystal neutron at T = 130 K
formula_title: <missing>
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formula: Ca4.974 Na.026 (P2.844 Si.09 S.066) O12.18 F.76 Cl.06 H.18
compound: Ipira, Bahia Province, Brazil
pub_title: A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K
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formula: Cu4 (As.54 V.46) O6 Cl
compound: Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
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b: 11.154
c: 10.333
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Crystal chemistry of inorganic compounds based on chains of oxocentered
 tetrahedra II. Crystal structure of Cu4O2[(As,V)O4]Cl

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formula: Na4.5 Ca3.5 Si6 O18
compound: Mayener Feld, Eifel, Germany
formula_title: <missing>
a: 10.464
b: 10.464
c: 13.176
alpha: 90
beta: 90
gamma: 120
cell_volume: 1249.423
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pub_title:
 Die Kristallstrukturen von naturlichem Na2Ca2Si3O9
 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel)
 Note: this is the low-temperature form of combeite

atoms_sites:
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formula: Na4 Ca4 Si6 O18
compound: Mt. Shaheru, Zaire
formula_title: <missing>
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b: 10.429
c: 13.149
alpha: 90
beta: 90
gamma: 120
cell_volume: 1238.536
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pub_title:
 Die Kristallstrukturen von naturlichem Na2Ca2Si3O9
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 Note: this is the high-temperature form of combeite

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formula: Mg4.93 Fe.07 Si2 O8.46 F1.54 H.46
compound: Orange county, New York, USA
formula_title: <missing>
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b: 10.2360
c: 7.8252
alpha: 109.11
beta: 90
gamma: 90
cell_volume: 357.262
crystal_density: 3.207
atoms_sites: ["Mg1", "Fe1", "Mg2", "Mg3", "Si", "O1", "O2", "O3", "O4", "F5", "O5", "H1"]
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pub_title:
 Refinement of hydrogen positions in natural chondrodite by powder neutron
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compound: Synthetic
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beta: 90
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pub_title:
 Chlorartinite, a volcanic exhalation product also found
 in industrial magnesia screed
 Note: this is the hydrated chlorartinite

qdat:
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formula: Mg2 C O6 Cl H5
compound: Synthetic
formula_title: <missing>
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b: 22.6791
c: 7.22336
alpha: 90
beta: 90
gamma: 120
cell_volume: 3217.522
crystal_density: 1.831
atoms_sites: ["Mgl", "Mg2", "C", "O2", "O3", "O4", "Cl", "O-H5", "Wat1", "Wat6"]
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pub_title:
 Crystal structure of dehydrated chlorartinite by X-ray powder diffraction
 Note: this is a dehydrated chlorartinite

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formula: Mg3 B7 O13 Cl
compound: Stassfurt, Germany
pub_title: The crystal structure of boracite
formula_title: <missing>
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b: 8.54
c: 12.07
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formula: Fe3 Cl B7 O13
compound: Synthetic
pub_title: Structure refinement of trigonal iron-chlorine boracite
formula_title: <missing>
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beta: 90
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formula: Ca O6 C4 H6
compound: Synthetic
formula_title: <missing>
a: 5.9466
b: 10.2247
c: 16.6496
alpha: 72.213
beta: 79.718
gamma: 89.791
cell_volume: 947.062
crystal_density: 2.001
pub_title:
 Crystal structure, synthesis, and properties of
 tri-calcium di-citrate tetra-hydrate [Ca3(C6H5O7)2(H2O)2]*2H2O
 Note: earlier orthorhombic cell parameters are from uncorrected twin

atoms_sites:
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formula: Ca3 Si O25 S1.27 C.5
compound: Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria
formula_title: <missing>
a: 11.070
b: 11.070
c: 10.4397
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beta: 90
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cell_volume: 1107.934
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pub_title:
 The sulfite anion in ettringite-group minerals: a new mineral species
 hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
 solid-solution series
 Note: sample Zb-01, single crystal

qdat:
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formula: Ca3 Si O25 S2
compound: Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany
formula_title: <missing>
a: 11.106
b: 11.106
c: 10.492
alpha: 90
beta: 90
gamma: 120
cell_volume: 1120.738
crystal_density: 1.815
atoms_sites: ["Ca", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "S6+1", "OS1A", "OS1B", "S4+2", "O(C,S2)"]
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pub_title:
 The sulfite anion in ettringite-group minerals: a new mineral species
 hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
 solid-solution series
 Note: sample G-3231, single crystal

qdat:
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formula: Ca3 (Si.7 Al.3) O25 S1.57 C.39
compound: Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany
formula_title: <missing>
a: 11.1178
b: 11.1178
c: 10.5381
alpha: 90
beta: 90
gamma: 120
cell_volume: 1128.056
crystal_density: 1.775
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atoms_aniso_u23: 0
pub_title:
 The sulfite anion in ettringite-group minerals: a new mineral species
 hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
 solid-solution series
 Note: sample G-3049, powder

atoms_sites:
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formula: As1.079 Zn2 O7.87 H6.74
compound: Tsumeb mine, Namibia
formula_title: <missing>
a: 11.793
b: 9.1138
c: 6.8265
alpha: 90
beta: 103.859
gamma: 90
cell_volume: 712.346
crystal_density: 3.211
atoms_sites: ["As1", "As2", "As3", "Zn1", "Zn2", "O1", "Wat2", "O3", "O-H4", "O5", "O6", "Wat7", "Wat8"]
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atoms_aniso_label: ["As1", "Zn1", "Zn2", "O1", "Wat2", "O3", "O-H4", "O5", "O6", "Wat7", "Wat8"]
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pub_title:
 Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from
 the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
a: 4.358
b: 4.358
c: 12.300
alpha: 90
beta: 90
gamma: 90
cell_volume: 233.604
crystal_density: 6.460
atoms_sites: ["Hg", "I"]
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 10 K, powder neutron data

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
a: 4.358
b: 4.358
c: 12.306
alpha: 90
beta: 90
gamma: 90
cell_volume: 233.718
crystal_density: 6.457
atoms_sites: ["Hg", "I"]
atoms_x: QEIPAEBCDwA=
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atoms_occupancy: 0
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 30 K, powder neutron data

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
a: 4.359
b: 4.359
c: 12.319
alpha: 90
beta: 90
gamma: 90
cell_volume: 234.072
crystal_density: 6.447
atoms_sites: ["Hg", "I"]
atoms_x: QEIPAEBCDwA=
atoms_y: wMYtAEBCDwA=
atoms_z: QEIPAIDgFwA=
atoms_occupancy: 0
atoms_u_iso: 8G4AABBZAAA=
atoms_aniso_label: ["Hg", "I"]
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 60 K, powder neutron data

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 234.521
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 100 K, powder neutron data

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
a: 4.365
b: 4.365
c: 12.389
alpha: 90
beta: 90
gamma: 90
cell_volume: 236.050
crystal_density: 6.393
atoms_sites: ["Hg", "I"]
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 200 K, powder neutron data

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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
a: 4.370
b: 4.370
c: 12.437
alpha: 90
beta: 90
gamma: 90
cell_volume: 237.508
crystal_density: 6.354
atoms_sites: ["Hg", "I"]
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 293 K, powder neutron data

qdat:
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formula: Hg I2
compound: synthetic, Fluka 83379
formula_title: <missing>
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b: 4.3675
c: 12.470
alpha: 90
beta: 90
gamma: 90
cell_volume: 237.866
crystal_density: 6.344
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pub_title:
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 293 K, single crystal X-ray data

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formula: Na Ca Al2 Mg3 Si8 O24 H2
compound: <missing>
formula_title: <missing>
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b: 18.04
c: 5.33
alpha: 90
beta: 106.75
gamma: 90
cell_volume: 911.528
crystal_density: 2.917
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pub_title:
 Die Struktur von Karinthin und einer barroisitischen Hornblende
 Note: this is not a good structure

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formula: Zn3 O12 P2 H8
compound: Synthetic
formula_title: <missing>
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c: 18.2828
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
 Note: alpha-hopeite

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alpha: 90
beta: 90
gamma: 90
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pub_title:
 The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
 Note: beta-hopeite

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formula: Ca9 Si4 O17.04 F.96
compound: Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
formula_title: <missing>
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b: 11.3579
c: 15.4004
alpha: 100.598
beta: 90
gamma: 90
cell_volume: 871.474
crystal_density: 2.911
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pub_title:
 Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series
 of calcium humite-group minerals from altered xenoliths in the ignimbrite
 of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia

atoms_sites:
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compound: Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
formula_title: <missing>
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c: 15.3941
alpha: 100.587
beta: 90
gamma: 90
cell_volume: 870.630
crystal_density: 2.917
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pub_title:
 Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series
 of calcium humite-group minerals from altered xenoliths in the ignimbrite
 of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia

atoms_sites:
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formula: Al6.81 Si2.884 As.093 Sb.023 B O17.884
compound: Hartmannsdorf quarry, 12 km northwest of Chemnitz in Saxony, Germany
pub_title: The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21
formula_title: <missing>
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b: 11.8149
c: 20.2267
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.382
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formula: Al6.668 Si2.89 As.087 Sb.022 B O17.898
compound: west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia
pub_title: The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27
formula_title: <missing>
a: 4.6901
b: 11.7874
c: 20.1872
alpha: 90
beta: 90
gamma: 90
cell_volume: 1116.031
crystal_density: 3.377
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atoms_aniso_label:
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qdat:
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formula: Al6.809 Si2.876 As.099 Sb.025 B O17.876
compound: Tonagh Island in Amundsen Bay, Enderby Land, East Antarctica
pub_title: The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31
formula_title: <missing>
a: 4.6871
b: 11.7901
c: 20.1825
alpha: 90
beta: 90
gamma: 90
cell_volume: 1115.313
crystal_density: 3.405
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atoms_sites:
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atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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qdat:
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formula: Al6.79 Si3 B O18
compound: the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica
pub_title: The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67
formula_title: <missing>
a: 4.6995
b: 11.7790
c: 20.1671
alpha: 90
beta: 90
gamma: 90
cell_volume: 1116.358
crystal_density: 3.369
atoms_aniso_u11: yEYAAChBAABIYgAAeEYAAMBOAADQUgAAsE8AAHCtAABwSQAAsE8AAEBRAAAQWQAAoL4AAADIAACwgQAAMFwAAMBEAAA=
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atoms_sites:
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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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qdat:
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formula: Cu.01 (Mg.99 Al2.01) O4
compound: Synthetic
formula_title: <missing>
a: 8.0853
b: 8.0853
c: 8.0853
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.553
crystal_density: 3.592
atoms_sites: ["CuT", "MgT", "AlT", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgDA/Q8A
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgDA/Q8A
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgDA/Q8A
atoms_occupancy: QJwAAMDGLQBAQg8AAFMHAAC2NQAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "MgM", "AlM", "O"]
atoms_aniso_u11: UEYAAFBGAABQRgAA4EcAAOBHAADgeQAA
atoms_aniso_u22: UEYAAFBGAABQRgAA4EcAAOBHAADgeQAA
atoms_aniso_u33: UEYAAFBGAABQRgAA4EcAAOBHAADgeQAA
atoms_aniso_u12: AAAAAAAAAAAAAAAA0P3//9D9//9wAwAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA0P3//9D9//9wAwAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA0P3//9D9//9wAwAA
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl05b

qdat:
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formula: (Cu.06 Mg.94 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0858
b: 8.0858
c: 8.0858
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.651
crystal_density: 3.634
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AAP8PAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AAP8PAA==
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atoms_occupancy: wNQBAECOLAAApg4AYOoAAKBoBgAAtjUAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
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atoms_aniso_u22: MEMAADBDAAAwQwAAUEYAAFBGAABQRgAA4HkAAA==
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atoms_aniso_u13: AAAAAAAAAAAAAAAASP7//0j+//9I/v//kAEAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAASP7//0j+//9I/v//kAEAAA==
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl15a2


formula: (Cu.12 Mg.88 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0857
b: 8.0857
c: 8.0857
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.631
crystal_density: 3.693
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
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atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AOP4PAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AOP4PAA==
atoms_occupancy: wEUEAACBKQBAQg8AoIYBAIAaBgDgZzUAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
atoms_aniso_u11: gFcAAIBXAACAVwAAAEsAAABLAAAASwAA0IQAAA==
atoms_aniso_u22: gFcAAIBXAACAVwAAAEsAAABLAAAASwAA0IQAAA==
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atoms_aniso_u13: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//0AIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//0AIAAA==
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl30bw


formula: (Cu.24 Mg.76 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0867
b: 8.0867
c: 8.0867
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.828
crystal_density: 3.810
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AYP4PAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AYP4PAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AYP4PAA==
atoms_occupancy: gIsIAIDXJQAApg4AQA0DAMBFBAAAtjUAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "MgM", "AlM", "O"]
atoms_aniso_u11: MFwAADBcAAAwXAAAiEoAAIhKAACISgAA8IcAAA==
atoms_aniso_u22: MFwAADBcAAAwXAAAiEoAAIhKAACISgAA8IcAAA==
atoms_aniso_u33: MFwAADBcAAAwXAAAiEoAAIhKAACISgAA8IcAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAACP3//wj9//8I/f//gAIAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAACP3//wj9//8I/f//gAIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAACP3//wj9//8I/f//gAIAAA==
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl50bw


