# cif

formula: Cu.69 Mg.31 Al2 O4
compound: Synthetic
formula_title: (Cu.69Mg.31)Al2O4
a: 8.0857
b: 8.0857
c: 8.0857
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.631
crystal_density: 4.256
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgBY/A8A
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgBY/A8A
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgBY/A8A
atoms_occupancy: wD4aAMDrEgCA3g8AQO8HAMAZNQAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_aniso_u11: cHsAAHB7AABwewAAwF0AAMBdAAAgsgAA
atoms_aniso_u22: cHsAAHB7AABwewAAwF0AAMBdAAAgsgAA
atoms_aniso_u33: cHsAAHB7AABwewAAwF0AAMBdAAAgsgAA
atoms_aniso_u12: AAAAAAAAAAAAAAAAyPv//8j7//8AAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAAyPv//8j7//8AAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAAyPv//8j7//8AAAAA
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl90dw


formula: Cu.7 Mg.3 Al2 O4
compound: Synthetic
formula_title: (Cu.70Mg.30)Al2O4
a: 8.0831
b: 8.0831
c: 8.0831
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.122
crystal_density: 4.269
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCo/A8A
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCo/A8A
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCo/A8A
atoms_occupancy: ANsaAIBPEgCA3g8AQO8HAMAZNQAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_aniso_u11: IIAAACCAAAAggAAAUF8AAFBfAAAgsgAA
atoms_aniso_u22: IIAAACCAAAAggAAAUF8AAFBfAAAgsgAA
atoms_aniso_u33: IIAAACCAAAAggAAAUF8AAFBfAAAgsgAA
atoms_aniso_u12: AAAAAAAAAAAAAAAA8Pv///D7//+QAQAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA8Pv///D7//+QAQAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA8Pv///D7//+QAQAA
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl90dm


formula: Cu.78 Mg.22 Al2 O4
compound: Synthetic
formula_title: (Cu.78Mg.22)Al2O4
a: 8.0841
b: 8.0841
c: 8.0841
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.318
crystal_density: 4.347
atoms_sites: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgAY+w8A
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgAY+w8A
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgAY+w8A
atoms_occupancy: wCAfAIBtDQDAehAAYD0IAKDLNAAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "MgT", "AlT", "CuM", "AlM", "O"]
atoms_aniso_u11: kH4AAJB+AACQfgAAUF8AAFBfAABguAAA
atoms_aniso_u22: kH4AAJB+AACQfgAAUF8AAFBfAABguAAA
atoms_aniso_u33: kH4AAJB+AACQfgAAUF8AAFBfAABguAAA
atoms_aniso_u12: AAAAAAAAAAAAAAAAePv//3j7//9w/v//
atoms_aniso_u13: AAAAAAAAAAAAAAAAePv//3j7//9w/v//
atoms_aniso_u23: AAAAAAAAAAAAAAAAePv//3j7//9w/v//
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl95b


formula: (Cu Al2) O4
compound: Synthetic
formula_title: CuAl2O4
a: 8.0793
b: 8.0793
c: 8.0793
alpha: 90
beta: 90
gamma: 90
cell_volume: 527.377
crystal_density: 4.572
atoms_sites: ["CuT", "AlT", "CuM", "AlM", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAJj4DwA=
atoms_y: IKEHACChBwCAhB4AgIQeAJj4DwA=
atoms_z: IKEHACChBwCAhB4AgIQeAJj4DwA=
atoms_occupancy: wFUrAECzEQCg2QgAYC80AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["CuT", "AlT", "CuM", "AlM", "O"]
atoms_aniso_u11: 4JIAAOCSAADQawAA0GsAALDMAAA=
atoms_aniso_u22: 4JIAAOCSAADQawAA0GsAALDMAAA=
atoms_aniso_u33: 4JIAAOCSAADQawAA0GsAALDMAAA=
atoms_aniso_u12: AAAAAAAAAAAo+///KPv//5ABAAA=
atoms_aniso_u13: AAAAAAAAAAAo+///KPv//5ABAAA=
atoms_aniso_u23: AAAAAAAAAAAo+///KPv//5ABAAA=
pub_title:
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl100h

qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAACAAAAAAgAAAAAAABAAAAEAAAAAAEAAAIAAAAAIAACAAAAAgAAgAAABAAEAAAAgAEAAACAAQAAAgAQAAAgAQAACACAAAgAgAAQAQAAAAgAAgCAACAIAAQBAACAQABAIAAAE==


formula: K1.5 H.5 Mg2 Si2 O7
compound: Synthetic
pub_title: New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx
formula_title: <missing>
a: 5.0646
b: 5.0646
c: 13.2379
alpha: 90
beta: 90
gamma: 120
cell_volume: 294.063
crystal_density: 3.116
atoms_sites: ["K", "H", "Mg", "Si", "O1", "O2"]
atoms_x: QJsVAAAAAABVWBQAAAAAAAAAAAAw6hIA
atoms_y: gE4nAIATHACrsCgAAAAAAAAAAAAAAAAA
atoms_z: QEIPAICLCAAAAAAAEIQHAEBCDwBABhkA
atoms_occupancy: QEIPAAgWBQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: AHcBAAASegDwuQAAcHsAAPC5AADgkgAA
atoms_aniso_label: ["K", "Mg", "Si", "O1", "O2"]
atoms_aniso_u11: YOoAAADIAADgkgAAAPoAABCLAAA=
atoms_aniso_u22: QJYBAADIAADgkgAAAPoAAKClAAA=
atoms_aniso_u33: YIYAAGCfAAAASwAAgD4AADCOAAA=
atoms_aniso_u12: AIP//wBkAABwSQAA4HkAANBSAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAPDx//8=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAABAAAAAAABAAAACAACAAAAAAACAIQAIAAHAAIAgQAAAYAAAAA6AQAOAQCCAIECAAI4AAKgwAkEEIACIACcBAIECQIAYADABUEKgBMAIhAIEBCE4gcIkAWAJxBxCBCIAYAQw0SYCYlgGAKEHEMRAGgGAa==


formula: (Co.07 Mg.93 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0851
b: 8.0851
c: 8.0851
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.514
crystal_density: 3.637
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AKP8PAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AKP8PAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AKP8PAA==
atoms_occupancy: gKkDAIC5KgAApg4AIE4AAOAEBwAAtjUAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: AEsAAABLAAAASwAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u22: AEsAAABLAAAASwAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u33: AEsAAABLAAAASwAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAA+P3///j9///4/f//SAMAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAA+P3///j9///4/f//SAMAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAA+P3///j9///4/f//SAMAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl0.5


formula: Co.08 Mg.91 Al2 O4
compound: Synthetic
formula_title: <missing>
a: 8.0848
b: 8.0848
c: 8.0848
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.455
crystal_density: 3.640
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_occupancy: wEUEAEAdKgDACQ4AIE4AAMC2BgAgBDYAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: 4EcAAOBHAADgRwAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u22: 4EcAAOBHAADgRwAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u33: 4EcAAOBHAADgRwAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAA+P3///j9///4/f//qAIAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAA+P3///j9///4/f//qAIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAA+P3///j9///4/f//qAIAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl1


formula: (Co.11 Mg.89 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0840
b: 8.0840
c: 8.0840
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.298
crystal_density: 3.673
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AQAAQAA==
atoms_occupancy: QH4FAACBKQDACQ4AQJwAAKBoBgAgBDYAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: cEkAAHBJAABwSQAAUEYAAFBGAABQRgAAwHYAAA==
atoms_aniso_u22: cEkAAHBJAABwSQAAUEYAAFBGAABQRgAAwHYAAA==
atoms_aniso_u33: cEkAAHBJAABwSQAAUEYAAFBGAABQRgAAwHYAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAASP7//0j+//9I/v//qAIAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAASP7//0j+//9I/v//qAIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAASP7//0j+//9I/v//qAIAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl10


formula: (Co.25 Mg.75 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0875
b: 8.0875
c: 8.0875
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.984
crystal_density: 3.790
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AUAQQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AUAQQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AUAQQAA==
atoms_occupancy: wAkOAMCRIQCAbQ0AQJwAAIAaBgBAUjYAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: kEwAAJBMAACQTAAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u22: kEwAAJBMAACQTAAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u33: kEwAAJBMAACQTAAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAgP3//4D9//+A/f//WAIAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAgP3//4D9//+A/f//WAIAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAgP3//4D9//+A/f//WAIAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl14


formula: (Co.34 Mg.66 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0902
b: 8.0902
c: 8.0902
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.514
crystal_density: 3.864
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAUQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAUQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAUQAA==
atoms_occupancy: wOsSAABMHQBA0QwAYOoAAEB+BQBgoDYAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: IE4AACBOAAAgTgAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u22: IE4AACBOAAAgTgAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u33: IE4AACBOAAAgTgAAMEMAADBDAAAwQwAAwHYAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAMP3//zD9//8w/f//IAMAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAMP3//zD9//8w/f//IAMAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAMP3//zD9//8w/f//IAMAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl20

qdat:
AAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAACAAAAAAgAAAAAAABAAAAIAAAAAAIAAAIAAAAAQAAEAAAABAABAAAACAAEAAABAAIAAAEAAgAABAAQAABABAAAEAEAABABAAAgBAAAABAABACAAEAQABACAAIBAACAQAAAQ==


formula: (Co.48 Mg.52 Al2) O4
compound: Synthetic
formula_title: <missing>
a: 8.0914
b: 8.0914
c: 8.0914
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.750
crystal_density: 3.984
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAoQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAoQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AaAoQAA==
atoms_occupancy: ANsaAECVFgDAmAsAgDgBAOCTBACgPDcAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: QFEAAEBRAABAUQAAwEQAAMBEAADARAAA4HkAAA==
atoms_aniso_u22: QFEAAEBRAABAUQAAwEQAAMBEAADARAAA4HkAAA==
atoms_aniso_u33: QFEAAEBRAABAUQAAwEQAAMBEAADARAAA4HkAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl34


formula: (Co.59 Mg.41 Al2) O4
compound: Synthetic
formula_title: (Co.59Mg.41)Al2O4
a: 8.0943
b: 8.0943
c: 8.0943
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.320
crystal_density: 4.075
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AoA4QAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AoA4QAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AoA4QAA==
atoms_occupancy: gPUgAIBPEgBAYAoAoIYBAGBbAwDg2DcAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: AEsAAABLAAAASwAA8DwAAPA8AADwPAAA8G4AAA==
atoms_aniso_u22: AEsAAABLAAAASwAA8DwAAPA8AADwPAAA8G4AAA==
atoms_aniso_u33: AEsAAABLAAAASwAA8DwAAPA8AADwPAAA8G4AAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAA4Pz//+D8///g/P//kAEAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAA4Pz//+D8///g/P//kAEAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAA4Pz//+D8///g/P//kAEAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl45


formula: (Co.63 Mg.37 Al2) O4
compound: Synthetic
formula_title: (Co.63Mg.37)Al2O4
a: 8.0957
b: 8.0957
c: 8.0957
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.595
crystal_density: 4.108
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AuAUQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AuAUQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AuAUQAA==
atoms_occupancy: AL0fAMB6EABA0QwAYFsDAEANAwBgoDYAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: gFcAAIBXAACAVwAAUEYAAFBGAABQRgAAgIkAAA==
atoms_aniso_u22: gFcAAIBXAACAVwAAUEYAAFBGAABQRgAAgIkAAA==
atoms_aniso_u33: gFcAAIBXAACAVwAAUEYAAFBGAABQRgAAgIkAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAuPz//7j8//+4/P//IAMAAA==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl50

qdat:
AAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAACAAAAABAAAAAAAACAAAAIAAAAAAIAAAQAAAAAQAAEAAAABAABAAAACAAIAAABAAIAAAEABAAABAAgAACABAAAIAIAABACAABABAAAACAACAEAAIAgABAEAAQBAAEAgAAAQ==


formula: Co.76 Mg.25 Al2 O4
compound: Synthetic
formula_title: (Co.76Mg.25)Al2O4
a: 8.1010
b: 8.1010
c: 8.1010
alpha: 90
beta: 90
gamma: 90
cell_volume: 531.638
crystal_density: 4.219
atoms_sites: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AqBAQAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AqBAQAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AqBAQAA==
atoms_occupancy: wOQoAEBgCgAAxAkAIL8CAABxAgAAJzgAAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "MgT", "AlT", "CoM", "MgM", "AlM", "O"]
atoms_aniso_u11: 2FQAANhUAADYVAAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u22: 2FQAANhUAADYVAAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u33: 2FQAANhUAADYVAAAUEYAAFBGAABQRgAA4HkAAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAyPv//8j7///I+///iP///w==
atoms_aniso_u13: AAAAAAAAAAAAAAAAyPv//8j7///I+///iP///w==
atoms_aniso_u23: AAAAAAAAAAAAAAAAyPv//8j7///I+///iP///w==
pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl67

qdat:
AAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAEAAAAABAAAAAAAACAAAAIAAAAAAIAAAQAAAAAQAAEAAAABAABAAAAEAAIAAACAAIAAAIABAAACAAgAACABAAAIAIAACACAABACAAAACAACAIAAQBAABAIAAgBAAIAgAAAg==


formula: (Co Al2) O4
compound: Synthetic
formula_title: CoAl2O4
a: 8.1047
b: 8.1047
c: 8.1047
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.367
crystal_density: 4.414
atoms_sites: ["CoT", "AlT", "CoM", "AlM", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAPgVEAA=
atoms_y: IKEHACChBwCAhB4AgIQeAPgVEAA=
atoms_z: IKEHACChBwCAhB4AgIQeAPgVEAA=
atoms_occupancy: wBk1AEDvBwCg9wMAYBE5AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["CoT", "AlT", "CoM", "AlM", "O"]
atoms_aniso_u11: 4FEAAOBRAACAPgAAgD4AAKBzAAA=
atoms_aniso_u22: 4FEAAOBRAACAPgAAgD4AAKBzAAA=
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pub_title:
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl100


formula: (Pb.61 Sr.39) Mn1.87 Zn.25 U.02 Fe1.04 Na.18 Mg.02 V7.74 Ti7.02 O38
compound: the Molinello mine,Val Graveglia, Italy
pub_title: Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group
formula_title: <missing>
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b: 10.3894
c: 20.8709
alpha: 90
beta: 90
gamma: 120
cell_volume: 1950.979
crystal_density: 4.304
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formula: Na.365 (Fe3.797 Mg1.203) P4 O24 H12
compound: Angarf-Sud pegmatite, Morocco
formula_title: <missing>
a: 12.7997
b: 17.9081
c: 8.2112
alpha: 90
beta: 90
gamma: 90
cell_volume: 1882.157
crystal_density: 2.716
pub_title:
 Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the
 Angarf-Sud pegmatite, Morocco: description and crystal structure

atoms_sites:
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formula: Zn3.68 Al2.46 Cu2.86 Sb3 (O36 H36)
compound: Monte Avanza mine, Udine Province, Italy
pub_title: Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type
formula_title: <missing>
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b: 5.340
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alpha: 90
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cell_volume: 2173.427
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formula: Sb1.846 As.154 (Ni2.262 Cu1.368 Fe2.148 Mg.222) O24 H24
compound: Oms, France
pub_title: Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France
formula_title: <missing>
a: 5.3506
b: 5.3506
c: 19.5802
alpha: 90
beta: 90
gamma: 120
cell_volume: 485.459
crystal_density: 3.385
atoms_sites:
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formula: Li Nb O3
compound: Synthetic
pub_title: Crystal structures of ilmenite type LiNbO3 and NaNbO3
formula_title: LiNbO3
a: 5.212
b: 5.212
c: 14.356
alpha: 90
beta: 90
gamma: 120
cell_volume: 337.733
crystal_density: 4.361
atoms_sites: ["Li", "Nb", "O"]
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formula: Na Nb O3
compound: Synthetic
pub_title: Crystal structures of ilmenite type LiNbO3 and NaNbO3
formula_title: <missing>
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b: 5.335
c: 15.611
alpha: 90
beta: 90
gamma: 120
cell_volume: 384.796
crystal_density: 4.244
atoms_sites: ["Na", "Nb", "O"]
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formula: Cu K2 S2 O14
compound: Synthetic
formula_title: <missing>
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b: 12.131
c: 9.086
alpha: 90
beta: 104.45
gamma: 90
cell_volume: 657.384
crystal_density: 2.172
atoms_sites: ["Cu2+", "K", "S", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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pub_title:
 Crystallography and genesis of double sulfates and their hydrates. II.
 Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O

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formula: Ca1.928 Na.072 Mg Mo8 As2 Fe3 O61.176 H48.352
compound: Tsumeb, Namibia
pub_title: The heteropolymolybdate family: structural relations, nomenclature scheme and new species
formula_title: <missing>
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c: 15.2559
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beta: 131.528
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formula: Na3.52 Mo8 Fe3 As2 O50.56 H27.12
compound: Chuquicamata mine, Antofagasta, Chile
pub_title: The heteropolymolybdate family: structural relations, nomenclature scheme and new species
formula_title: <missing>
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formula: (Na.95 Li.05) (Al.91 Fe.09) As O4.27 (F.73 H.27)
compound: the Barranca mine, Coneto de Comonfort, Durango, Mexico
pub_title: Redetermination of durangite, NaAl(AsO4)F
formula_title: <missing>
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b: 8.5071
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formula: Fe2.97 Ni.027 Mn.024 Si
compound: cosmic dust found in placers, Yanshan, China
pub_title: Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan
formula_title: <missing>
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b: 5.670
c: 5.670
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formula: Fe Si2
compound: Luobusha, Tibet, China
pub_title: Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China
formula_title: <missing>
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b: 2.696
c: 5.147
alpha: 90
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formula: Ca4.33 Na.12 Fe.03 Al2 S F13 O16 H24
compound: Val Cavallizza mine, Cuasso al Monte, Varese province, Italy
formula_title: <missing>
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b: 16.749
c: 16.749
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from
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formula: K.93 Na.05 Ba.01 Al2.68 Mg.1 Fe.14 Mn.02 Ti.02 Si3.04 O12 H2
compound: Minas Gerais, Brazil
pub_title: Refinement of Mn-substituted muscovite and phlogopite Sample: alurgite, type 2M1
formula_title: <missing>
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b: 9.018
c: 20.073
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gamma: 90
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formula: K.84 Na.07 Ba.02 Mg2.52 Fe.18 Mn.12 Al1.32 Ti.03 Si2.8 O11.9 F.1 H1.9
compound: Langban, Sweden
pub_title: Refinement of Mn-substituted muscovite and phlogopite Sample: manganophyllite, type 1M
formula_title: <missing>
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b: 9.221
c: 10.282
alpha: 90
beta: 99.90
gamma: 90
cell_volume: 496.507
crystal_density: 2.843
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formula: (Ba.97 Sr.03) Mn1.14 Fe2.7 Ca.04 Mg.04 Na.02 Al.06 P3 O15 H3
compound: Spring Creek copper mine, near Wilmington, South Australia
pub_title: The crystal structure of perloffite
formula_title: <missing>
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b: 12.470
c: 5.002
alpha: 90
beta: 100.19
gamma: 90
cell_volume: 567.407
crystal_density: 4.038
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formula: K.78 Ca.04 Fe1.3 Al.42 Mg.58 Ti.02 Si3.68 O12 H2
compound: Krivoi mine, Khibiny Massif, Kola Peninsula, Russia
pub_title: Crystal structure of celadonite from the electron diffraction data
formula_title: <missing>
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formula: K.87 Na.07 Ba.01 Ca.02 Al2.038 Mg.5 Ti.01 Fe.14 Si3.392 O12 H2
compound: Tiburon Peninsula, California, USA
pub_title: The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite
formula_title: <missing>
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b: 9.0383
c: 19.9473
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gamma: 90
cell_volume: 934.767
crystal_density: 2.860
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formula: K.86 Na.1 Al2.9 Fe.04 Mg.06 Si3 O12 H2
compound: pegmatite in Georgia, USA
pub_title: The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 muscovite
formula_title: <missing>
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b: 9.0080
c: 20.0470
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formula: Ca.725 Na.21 Li.105 Mg.105 Al4 Si2 O12 H1.98
compound: Greiner, Zillertal, Autria
pub_title: Neutron-diffraction study on the orientation of hydroxyl groups in margarite
formula_title: <missing>
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formula: K.948 Na.051 Ba.027 Al2.232 Mg.268 Fe.142 Cr.094 Ti.01 Mn.002 Si3.252 O12 H2
compound: Rio de Oro, Spanish Sahara
pub_title: Refinement of the crystal structure of phengite-2M1
formula_title: <missing>
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formula: Si.73 (Y.78 Yb.12 Er.05 Dy.03 Gd.02) O4 H2
compound: Stetind quarry, Tysfjord, Norway
pub_title: Atelisite-(Y), a new rare earth defect silicate of the KDP structure type
formula_title: <missing>
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b: 6.947
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beta: 90
gamma: 90
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formula: Zn S O10 H12
compound: Synthetic
formula_title: <missing>
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b: 7.2441
c: 24.2493
alpha: 90
beta: 98.488
gamma: 90
cell_volume: 1732.052
crystal_density: 2.067
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pub_title:
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O

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compound: Synthetic
formula_title: <missing>
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gamma: 90
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pub_title:
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O

atoms_sites:
["Zn", "S", "O1", "O2", "O3", "O4", "Ow1", "H1a", "H1b", "Ow2", "H2a", "H2b", "Ow3", "H3a", "H3b", "Ow4", "H4a", "H4b"]

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formula: Mn S O8 H8
compound: Synthetic
formula_title: <missing>
a: 5.9753
b: 13.8186
c: 8.0461
alpha: 90
beta: 90.826
gamma: 90
cell_volume: 664.300
crystal_density: 2.230
atoms_x: QAcEAODmCwAAfQAAwIAPAADtFwAAyggAYOMWAABjLgCA9DUAgPwKAADzFgBAcRwAoJYoAGD6JwCg4zAAAKo3ACBZEwAg8yMA
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pub_title:
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O

atoms_sites:
["Mn", "S", "O1", "O2", "O3", "O4", "Ow1", "Ow2", "Ow3", "Ow4", "H1a", "H1b", "H2a", "H2b", "H3a", "H3b", "H4a", "H4b"]

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formula: (Ca2.19 Na.81) V2.781 As.024 Si.21 Mn1.978 O12
compound: Molinello mine, Italy
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
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b: 12.5433
c: 12.5433
alpha: 90
beta: 90
gamma: 90
cell_volume: 1973.492
crystal_density: 3.745
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formula: (Ca2.19 Na.81) V2.7 As.132 Si.18 Mn1.978 O12
compound: Gambatesa mine, Italy
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
a: 12.5359
b: 12.5359
c: 12.5359
alpha: 90
beta: 90
gamma: 90
cell_volume: 1970.001
crystal_density: 3.773
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formula: (Ca2.04 Na.96) V1.563 As1.38 Si.03 Mn1.936 O12
compound: Fianel mine, Switzerland
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
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b: 12.5342
c: 12.5342
alpha: 90
beta: 90
gamma: 90
cell_volume: 1969.200
crystal_density: 3.953
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formula: (Na.9 Ca2.1) (Mg1.762 Mn.238) As2.847 Si.12 O12
compound: Langban, Sweden
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
a: 12.3450
b: 12.3450
c: 12.3450
alpha: 90
beta: 90
gamma: 90
cell_volume: 1881.366
crystal_density: 4.021
atoms_sites: ["NaX", "CaX", "MgY", "MnY", "AsT", "Si", "O"]
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formula: (Na.99 Ca2.01) (Mn1.554 Mg.446) (As2.544 V.456) O12
compound: Varenche, Italy
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
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b: 12.4829
c: 12.4829
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beta: 90
gamma: 90
cell_volume: 1945.120
crystal_density: 4.134
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formula: (Ca2.01 Na.99) (Mn1.696 Mg.304) As2.889 O12
compound: Gozaisho mine, Japan
pub_title: Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
formula_title: <missing>
a: 12.4929
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cell_volume: 1949.799
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qdat:
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formula: Tl5 Ag4 As5.78 Sb1.22 S15
compound: Lengenbach quarry, Binn valley, Switzerland
formula_title: <missing>
a: 8.920
b: 9.429
c: 20.062
alpha: 79.66
beta: 88.84
gamma: 62.72
cell_volume: 1471.605
crystal_density: 5.678
pub_title:
 Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry,
 Binn valley, Switzerland: description and crystal structure

atoms_sites:
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formula: Mn (Fe1.44 Al.56) P2 O16 H14
compound: Hagendorf-Sud pegmatite, Germany
pub_title: Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany
formula_title: <missing>
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b: 9.826
c: 7.205
alpha: 90.077
beta: 98.865
gamma: 118.442
cell_volume: 629.770
crystal_density: 2.545
atoms_sites:
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formula: Pb2 (O F) Cl
compound: Merehead quarry, Somerset, England
formula_title: <missing>
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beta: 90
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pub_title:
 Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride
 mineral with the parent crystal structure for layered lead oxychlorides

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compound: Yugoslavia
formula_title: <missing>
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pub_title:
 Al,Si distribution in a ternary (Ba,K,Na)-feldspar as determined
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 Note: variety hyalophane

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atoms_u_iso: 0
pub_title:
 The anorthoclase structures: The effects of temperature and composition
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pub_title:
 The anorthoclase structures: The effects of temperature and composition
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pub_title: The anorthoclase structures: The effects of temperature and composition Note: Or = 22.3, T = 23 C
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 The anorthoclase structures: The effects of temperature and composition
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formula: (Mg.88 Fe.12) Ca Si O4
compound: Crestmore, California, USA
formula_title: <missing>
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pub_title:
 Thermal parameters for minerals of the olivine group:
 their implication on vibrational spectra,
 thermodynamic functions and transferable force fields

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pub_title:
 Plumbomicrolite from the Ploskaya Mountain, Keivy Massif, Kola Peninsula,
 Russia: composition and crystal structure

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pub_title: Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic
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pub_title:
 Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE
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 Note: crystal 1

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formula: Na2.36 Ca4.2 Sr.9 Ba.06 Nd1.14 La.1 Ce.82 Pr.2 Sm.22 Gd.04 (P5.88 Si.12) O24 F1.88
compound: the Ilimaussaq alkaline complex, South Greenland
formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 540.620
crystal_density: 3.918
pub_title:
 Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from
 the Ilimaussaq alkaline complex, South Greenland

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formula: (Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18
compound: Hagendorf-Sud granitic pegmatite, Germany
formula_title: <missing>
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cell_volume: 984.200
crystal_density: 2.774
pub_title:
 Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the
 Hagendorf-Sud granitic pegmatite, Germany

atoms_sites:
["CaX", "ZnX", "MnM1", "MgM1", "MnM2a", "MgM2a", "MnM2b", "AlM3a", "FeM3a", "AlM3b", "FeM3b", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "Wat10", "Wat11", "Wat12", "Wat13"]

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formula: Bi13.604 Pb7.25 Cu.842 Fe.45 S28
compound: Felbertal, Salzburg Province, Austria
pub_title: Eclarite: New data and interpretations
formula_title: <missing>
a: 4.0307
b: 22.7011
c: 54.6145
alpha: 90
beta: 90
gamma: 90
cell_volume: 4997.299
crystal_density: 7.073
atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u22:

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atoms_aniso_u12:

atoms_aniso_u13:

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qdat:
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formula: Ba.6 V5.305 O11.4 Fe.98 Zn.11 Al.03 Mg.02 Si.86 H.4
compound: Wigwam deposit of Southeastern British Columbia, Canada
formula_title: <missing>
a: 5.750
b: 5.750
c: 14.459
alpha: 90
beta: 90
gamma: 120
cell_volume: 414.004
crystal_density: 4.996
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:
 Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH
 coupled substitution and tetrahedral Fe: description and structure

atoms_sites:
["Ba", "V", "O-H", "V1", "V2", "V3", "V4", "Fe3+T", "Fe2+T", "ZnT", "AlT", "MgT", "SiT1", "Fe3+T1", "O1", "O2", "O3", "O4", "O5"]

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formula: Pb2 Si4 Al O12 H
compound: Big Horn Mountains, Maricopa County, Arizona, USA
formula_title: <missing>
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b: 13.9132
c: 10.2775
alpha: 90
beta: 92.925
gamma: 90
cell_volume: 1118.976
crystal_density: 4.432
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pub_title:
 Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an
 interrupted framework from Maricopa County, Arizona, U.S.A.

atoms_sites:
["Pb", "Pb*", "SiT1", "SiT2", "AlT2", "AlT3", "SiT3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8H", "H"]

atoms_aniso_label:
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formula: Na2.76 Nb3 Si4 O26 H18
compound: Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 9.937
b: 9.937
c: 7.004
alpha: 90
beta: 90
gamma: 120
cell_volume: 598.946
crystal_density: 2.464
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pub_title:
 Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont
 Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis

atoms_sites:
["Na", "Nb1", "Nb2", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat8", "Wat9", "Wat10"]

atoms_aniso_label:
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qdat:
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formula: Pb36 Mn2 Cl14 O45 B8 H4
compound: Kombat mine, Grootfontein, Namibia
formula_title: <missing>
a: 12.759
b: 27.169
c: 11.515
alpha: 90
beta: 90
gamma: 90
cell_volume: 3991.667
crystal_density: 7.385
pub_title:
 Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures:
 Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb7", "Pb8", "Pb9", "Pb10", "Pb11", "Pb12", "Mn", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5", "Cl6", "Cl7A", "Cl7B", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "Wat1", "Wat2", "B1", "B2"]

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formula: Ca2 Al4 Si4 O21 H10
compound: Denezhkin Kamen, Urals Region, Russia
formula_title: <missing>
a: 21.5474
b: 8.75638
c: 9.30578
alpha: 90
beta: 91.5524
gamma: 90
cell_volume: 1755.144
crystal_density: 2.447
atoms_occupancy: 0
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pub_title:
 Hydrogen-bond system and dehydration behavior of the natural zeolite partheite
 Note: room temperature

atoms_sites:
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qdat:
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compound: Denezhkin Kamen, Urals Region, Russia
pub_title: Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C
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formula: Na.711 Ca.05 K.01 (Fe.231 Mg2.769) Al6 Si6 B3 O30.962 F.038 H3.42
compound: Forshammar Bergslagen Province, Sweden
formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 1575.046
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pub_title:
 Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen
 Province, Sweden: An EMPA, XRD and LA-ICP-MS study
 Sample: TSW an3 (rim)

atoms_sites:
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formula: Fe Si2
compound: Luobusha, Tibet
pub_title: X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet
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formula: V Ca Si4 O15 H8
compound: Wagholi quarry, Poona district, India
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 1288.923
crystal_density: 2.326
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pub_title:
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: room temperature

atoms_sites:
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formula: V Ca Si4 O14.249
compound: Wagholi quarry, Poona district, India
formula_title: <missing>
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alpha: 90
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cell_volume: 1282.733
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pub_title:
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: T = 75 C

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compound: Wagholi quarry, Poona district, India
formula_title: <missing>
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pub_title:
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: T = 175 C

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pub_title:
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: T = 350 C

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formula: Be2 B O3.96 H.96 F.04
compound: Anjanabonoina mine, Madagascar
pub_title: A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
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formula: Ca5 P3 O12 S.5
compound: Synthetic
pub_title: The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
formula_title: Ca10(PO4)6S
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crystal_density: 3.142
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formula: Ca10 P6 O24 Se
compound: Synthetic
pub_title: The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
formula_title: Ca10(PO4)6Se
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beta: 90
gamma: 120
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formula: Sr10 P6 O24 S
compound: Synthetic
pub_title: The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
formula_title: Sr10(PO4)6S
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beta: 90
gamma: 120
cell_volume: 600.529
crystal_density: 4.087
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formula: Ba10 P6 O24 S
compound: Synthetic
pub_title: The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
formula_title: Ba10(PO4)6S
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b: 10.252
c: 7.659
alpha: 90
beta: 90
gamma: 120
cell_volume: 697.140
crystal_density: 4.705
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formula: Cu.92 Ca3 Si3 O13
compound: the Bawana mine, Milford, Utah
formula_title: <missing>
a: 5.6551
b: 3.683
c: 27.1372
alpha: 90
beta: 90
gamma: 90
cell_volume: 565.206
crystal_density: 2.767
atoms_sites: ["Cu", "Ca1", "Ca2", "Si1A", "Si1B", "Si2", "O1", "O2", "O3", "O4", "O5", "O6A", "O6B", "O7"]
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atoms_aniso_label: ["Cu", "Ca1", "Ca2", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from
 the Bawana mine, Milford, Utah
 Note: not all atoms could be located

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formula: Cu6 Ca.4 Fe.09 Y.31 Ce.06 La.04 Nd.01 As3 O21 H12.96
compound: Setoda, Hiroshima, Japan
formula_title: <missing>
a: 15.583
b: 15.583
c: 5.895
alpha: 90
beta: 90
gamma: 120
cell_volume: 1239.700
crystal_density: 2.730
atoms_sites: ["Cu", "Ca", "Fe", "Y", "Ce", "La", "Nd", "As", "O1", "O2", "O3", "O-H3", "O-H4", "O-H5", "Wat6"]
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pub_title:
 Structure of Ca-rich agardite,
 (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O

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formula: Li.91 Mn.8 Fe.183 P O4
compound: Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China
pub_title: A structural study of the lithiophilite-sicklerite series Sample 1, colorless
formula_title: <missing>
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b: 10.432
c: 6.088
alpha: 90
beta: 90
gamma: 90
cell_volume: 300.783
crystal_density: 3.433
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formula: Li.86 Mn.8 Fe.183 P O4
compound: Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China
pub_title: A structural study of the lithiophilite-sicklerite series Sample 2, light yellow
formula_title: <missing>
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b: 10.423
c: 6.0940
alpha: 90
beta: 90
gamma: 90
cell_volume: 300.693
crystal_density: 3.426
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formula: Li.84 (Mn.8 Fe.2) P O4
compound: Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China
pub_title: A structural study of the lithiophilite-sicklerite series Sample 3, yellow
formula_title: <missing>
a: 4.7403
b: 10.4145
c: 6.0795
alpha: 90
beta: 90
gamma: 90
cell_volume: 300.132
crystal_density: 3.451
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formula: Li.76 Mn.8 Fe.18 P O4
compound: Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China
pub_title: A structural study of the lithiophilite-sicklerite series Sample 4, orange
formula_title: <missing>
a: 4.7670
b: 10.403
c: 6.0720
alpha: 90
beta: 90
gamma: 90
cell_volume: 301.117
crystal_density: 3.402
atoms_sites: ["Li1", "Mn2", "Fe2", "P", "O1", "O2", "O3"]
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formula: Li.748 Mn.8 Fe.195 P O4
compound: Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China
pub_title: A structural study of the lithiophilite-sicklerite series Sample 5, deep orange
formula_title: <missing>
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b: 10.3379
c: 6.0595
alpha: 90
beta: 90
gamma: 90
cell_volume: 298.498
crystal_density: 3.449
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qdat:
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formula: Na Cr5.322 V.87 Mg2.073 Ti.039 Al.798 B3 Si5.898 O30.54 F.46 H2.67
compound: Pereval marble quarry, Sludyanka, Lake Baikal, Russia
formula_title: <missing>
a: 16.1121
b: 16.1121
c: 7.3701
alpha: 90
beta: 90
gamma: 120
cell_volume: 1656.946
crystal_density: 3.355
pub_title:
 Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O,
 a new mineral species of the tourmaline supergroup

atoms_sites:
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formula: Ag Pb Sb3 S6
compound: Oura mine, San Jose, Bolivia
pub_title: Structural relations and pseudosymmetries in the andorite homologous series
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formula: Fe.96 Si2
compound: <missing>
pub_title: Rietveld structure refinement of new mineral luobusaite (beta-FeSi2)
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formula: Al6.24 Ta.248 Si2.499 Sb.343 As.13 B O17.499 H.52
compound: Voroni Tundry deposit, Kola Peninsula, Russia
pub_title: Refinement of composition and structure of holtite I
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formula: Al6.454 Ta.258 Si2.43 As.21 Sb.36 B O17.64 H
compound: Voroni Tundry deposit, Kola Peninsula, Russia
pub_title: Crystal structure of holtite I
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formula: Pb10.159 Sb7.841 S22
compound: Synthetic
formula_title: <missing>
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pub_title:
 Crystal chemistry and electrical conductivity of boulangerite, dadsonite and
 iodine-substituted pillaite grown by chemical vapor transport

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formula: Pb32 Si.96 As2.56 V.32 Mo.16 Cl9 O36.7
compound: Kombat mine, Grootfontein, Namibia
formula_title: <missing>
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pub_title:
 Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures:
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pub_title: High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K
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formula: Na21.492 Mn.508 S10 O40 Cl3
compound: Vesuvius, Naples, Italy
formula_title: <missing>
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pub_title:
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
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compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
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pub_title:
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
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formula: K3 Na Fe Cl6
compound: Synthetic
formula_title: <missing>
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c: 8.3376
alpha: 92.29
beta: 92.29
gamma: 92.29
cell_volume: 578.166
crystal_density: 2.348
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pub_title:
 Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II),
 and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances
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formula: Fe Co Cl6 N6 H18
compound: Synthetic
formula_title: Co(NH3)6FeCl6
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beta: 90
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pub_title:
 Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II),
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formula: K3 Na Mn Cl6
compound: Salton Sea, California, USA
pub_title: Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California
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formula: Zn2.81 Mn23.39 Mg1.66 Si7.22 Fe.84 Al.16 As4.92 O62 H16
compound: the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA
formula_title: <missing>
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alpha: 90
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cell_volume: 5099.814
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pub_title:
 Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16,
 from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA

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formula: Ca3 Ge S2 O17 H12
compound: Tsumeb, Namibia
pub_title: Schaurteite, Ca3Ge(SO4)2(OH)6*3H2O
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formula: Ba (Mg1.97 Mn.03) Al2 P3 O15 H3
compound: Mayo Mining District, Yukon Territory, Canada
pub_title: Penikisite, BaMg2Al2(PO4)3(OH)3, isostructural with bjarebyite
formula_title: <missing>
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formula: Ba1.6 Sr.3 K.1 Ti1.3 Nb.2 Fe1.4 Al.2 Mg.9 Na1.1 Mn.5 Ca.4 Si4 O17 F
compound: the Eifel volcanic area, Germany
pub_title: Crystal structure of schullerite, a new mineral of the heterophyllosilicate family
formula_title: <missing>
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b: 7.0656
c: 10.2178
alpha: 99.816
beta: 99.624
gamma: 90.085
cell_volume: 378.747
crystal_density: 3.982
atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Ca3 V2 O8
compound: synthetic at 11 GPa and 1373 K
pub_title: Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K
formula_title: Ca3(VO4)2
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b: 5.43276
c: 7.0713
alpha: 90
beta: 116.949
gamma: 90
cell_volume: 331.201
crystal_density: 3.511
atoms_sites: ["Ca1", "Ca2", "V", "O1", "O2", "O3"]
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formula: Na3.16 Ca.44 Fe.04 Al3 Si3 O15.45 C.74 H2.46
compound: Litchfield, USA
pub_title: Atomanordnung und Strukturverfeinerung von Cancrinit
formula_title: <missing>
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b: 12.75
c: 5.14
alpha: 90
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gamma: 120
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formula: Ta.3 Al6.12 Sb1.14 Si1.3 As.1 B O16.86
compound: Kola Peninsula, Russia
pub_title: Crystal structure of holtite II
formula_title: <missing>
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formula: Fe3 Si
compound: Synthetic
formula_title: <missing>
a: 5.644
b: 5.644
c: 5.644
alpha: 90
beta: 90
gamma: 90
cell_volume: 179.788
crystal_density: 7.227
atoms_sites: ["Fe1", "Fe2", "Si"]
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pub_title:
 Stability of crystal structure of (Fe,V)3M and (Fe,Ni)3M (M=Si,Ge,Sn)
 and its analysis based on rigid band model

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formula: Fe3 Si
compound: Synthetic
pub_title: Magneto-optical properties of metallic ferromagnetic materials
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cell_volume: 181.514
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formula: Pb3 Cu6 Te O13 H7 Cl5
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
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b: 8.4035
c: 44.681
alpha: 90
beta: 90
gamma: 120
cell_volume: 2732.586
crystal_density: 5.552
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets

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formula: Fe Si O3
compound: synthetic at 2 GPa and 1523 K for 20 h
pub_title: Ferrosilite III, the high-temperature polymorph of FeSiO3
formula_title: <missing>
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b: 7.467
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formula: Sb5 (Nb1.32 Ta1.28 Ti.16 W1.24) O18
compound: the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan
formula_title: <missing>
a: 54.116
b: 4.9143
c: 5.5482
alpha: 90
beta: 90.425
gamma: 90
cell_volume: 1475.460
crystal_density: 6.692
pub_title:
 Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species
 from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan:
 description and crystal structure

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formula: (Nd.95 La.61 Pr.17 Sm.12 Gd.08 Y.04 Eu.03) C3 O17 H16
compound: Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan
pub_title: Lanthanite-(Nd), Nd2(CO3)3*8H2O
formula_title: <missing>
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c: 16.9374
alpha: 90
beta: 90
gamma: 90
cell_volume: 1433.716
crystal_density: 2.820
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formula: Ag1.87 Cu.13 (Zn.61 Fe.36 Cd.03) Sn S4
compound: Pirquitas, Jujuy Province, Argentina
pub_title: Pirquitasite, Ag2ZnSnS4
formula_title: <missing>
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b: 5.7757
c: 10.8696
alpha: 90
beta: 90
gamma: 90
cell_volume: 362.596
crystal_density: 4.766
atoms_sites: ["Ag1", "Ag2", "Cu", "Zn", "Fe", "Cd", "Sn", "S"]
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formula: K3 (Ti Fe) S4 O19 H4
compound: Alcaparrosa, Chile
pub_title: Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile
formula_title: <missing>
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b: 16.7923
c: 12.1783
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beta: 94.076
gamma: 90
cell_volume: 1542.006
crystal_density: 2.831
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qdat:
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formula: Fe.85 Mg.49 Mn1.66 P2 O8
compound: La Empleada pegmatite, San Luis Province, Argentina
formula_title: <missing>
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b: 4.814
c: 10.484
alpha: 90
beta: 89.42
gamma: 90
cell_volume: 307.245
crystal_density: 3.681
atoms_sites: ["Fe2+M1", "MgM1", "Mn2+M2", "MgM2", "P", "O1", "O2", "O3", "O4"]
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atoms_u_iso: cJQAAHCUAAAAlgAAAJYAAAB9AADAqAAA0LYAAICiAACgvgAA
atoms_aniso_label: ["Fe2+M1", "MgM1", "Mn2+M2", "MgM2", "P", "O1", "O2", "O3", "O4"]
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atoms_aniso_u23: kAEAAJABAAAw+P//MPj//8D5//9g8P//YPD//2Dw//+Awf//
pub_title:
 Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from
 La Empleada pegmatite, San Luis Province, Argentina

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formula: Cu5 Si4 Li2 O14
compound: Synthetic
formula_title: Li2Cu5(Si2O7)2
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b: 7.754
c: 5.455
alpha: 90.52
beta: 106.27
gamma: 114.64
cell_volume: 270.400
crystal_density: 4.102
atoms_sites: ["Cu1", "Cu2", "Cu3", "Si1", "Si2", "Li1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Si1", "Si2", "Li1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The crystal structure of Li2Cu5(Si2O7)2 and the proposal of
 new values for the effective iconic radii of Cu2+

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formula: U8 Ca12 K7.11 C24 O112 H48
compound: Synthetic
pub_title: The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6
formula_title: <missing>
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b: 18.048
c: 18.394
alpha: 90
beta: 90
gamma: 90
cell_volume: 5648.553
crystal_density: 2.817
atoms_sites:
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formula: Mg S2 C2 O18 H30
compound: Synthetic
formula_title: <missing>
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c: 21.1298
alpha: 90
beta: 90
gamma: 120
cell_volume: 1572.990
crystal_density: 1.364
atoms_sites: ["Mg", "S", "C", "O1", "O2", "O3", "H1", "H2", "H3", "H4", "H5"]
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pub_title:
 Crystallization and characterization of magnesium methanesulfonate
 hydrate Mg(CH3SO3)2*12H2O
 Note: T = 110 K

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formula: K Ca12 Si4 S2 O26 F
compound: Synthetic
formula_title: <missing>
a: 7.197
b: 7.197
c: 41.224
alpha: 90
beta: 90
gamma: 120
cell_volume: 1849.199
crystal_density: 3.048
atoms_sites: ["K", "Ca1", "Ca2", "Si1", "Si2", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "F"]
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pub_title:
 Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate),
 KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker
 production process

qdat:
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formula: Ba Cu2 Si2 O7
compound: Wessels mine, Kalahari Manganese Fields, South Africa
formula_title: <missing>
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b: 13.1725
c: 6.8901
alpha: 90
beta: 90
gamma: 90
cell_volume: 622.213
crystal_density: 4.618
atoms_sites: ["Ba", "Cu", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 Scottyite, the natural analog of synthetic BaCu2Si2O7,
 a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa

qdat:
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formula: Na2.49 Ca.06 Li2.223 Mn.27 Fe2.727 Al21.6 Zn.18 Si18 B9 F2.1 O90.9 H17.57
compound: Urubu mine, Minas Gerais, Brazil
formula_title: <missing>
a: 15.9083
b: 15.9083
c: 7.1229
alpha: 90
beta: 90
gamma: 120
cell_volume: 1561.116
crystal_density: 3.140
pub_title:
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
 of the tourmaline supergroup
 Note: standard SREF

atoms_sites:
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compound: Urubu mine, Minas Gerais, Brazil
formula_title: <missing>
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b: 15.9083
c: 7.1229
alpha: 90
beta: 90
gamma: 120
cell_volume: 1561.116
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pub_title:
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
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 Note: split-site SREF

atoms_sites:
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compound: Cruzeiro mine, Minas Gerais, Brazil
formula_title: <missing>
a: 15.8933
b: 15.8933
c: 7.1222
alpha: 90
beta: 90
gamma: 120
cell_volume: 1558.020
crystal_density: 3.158
pub_title:
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
 of the tourmaline supergroup
 Note: standard SREF

atoms_sites:
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formula: Na.78 Ca.06 K.01 Li1.02 Mn.279 Fe.459 Al7.149 Zn.03 B3 Si6 F.759 O30.24 H3.24
compound: Cruzeiro mine, Minas Gerais, Brazil
formula_title: <missing>
a: 15.8933
b: 15.8933
c: 7.1222
alpha: 90
beta: 90
gamma: 120
cell_volume: 1558.020
crystal_density: 3.089
atoms_aniso_u11: EGwBABBsAQAQbAEAYJAAAGCQAABgkAAAYJAAAGCQAADQYQAA8G4AAHhLAABgNQEAWGYAANDPAAAAbgAA4FYAAOBWAAA=
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pub_title:
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
 of the tourmaline supergroup
 Note: split-site SREF

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

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atoms_z:
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atoms_aniso_label:
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qdat:
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formula: Sb20.496 Mg35.53 Fe24.97 O108
compound: Langban, Filipstad district, Varmland, Sweden
formula_title: <missing>
a: 25.9300
b: 25.9300
c: 25.9300
alpha: 90
beta: 90
gamma: 90
cell_volume: 17434.424
crystal_density: 4.939
pub_title:
 Superstructure, crystal chemistry, and cation distribution in filipstadite,
 a Sb5+-bearing, spinel-related mineral

atoms_sites:
["Sb1", "Sb2", "Mg2", "Sb3", "Mg3", "Sb4", "Mg4", "Sb5", "Mg5", "Sb6", "Mg6", "FeT1", "MgTM1", "FeT2", "MgTM2", "FeT3", "MgTM3", "FeT4", "MgTM4", "FeT5", "MgTM5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

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atoms_occupancy:
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atoms_aniso_label:
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formula: (V5.22 Al.78) P3 O45.32 Ca1.5 H54.64
compound: South Rasmussen phosphate mine, Soda Springs, Caribou County, Idaho, USA
pub_title: Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba
formula_title: <missing>
a: 15.441
b: 15.441
c: 15.441
alpha: 90
beta: 90
gamma: 90
cell_volume: 3681.512
crystal_density: 2.201
atoms_x: sCYaALAmGgBAQg8A0JcaAGC4GQAQ8SEA4DgoAOA4KACg7hEAkIMUALD1DgCgDhUAINwSAGABEgA=
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atoms_occupancy: wBk1AEDvBwAACT0AAAk9AAAJPQAACT0AQEIPAEA7JQAACT0AAC4iAAAJPQDA5CgAgPUgAAA1DAA=
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atoms_aniso_label: ["V", "Al", "P", "O1", "O-H2", "O-H3", "Ca", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5", "Wat6"]
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atoms_sites:
["V", "Al", "P", "O1", "O-H2", "O-H3", "Ca", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5", "Wat6", "Wat7"]

qdat:
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formula: K.62 Pb1.45 Zn Cu6.15 Se2 O8 Cl10
compound: Tolbachik fumaroles, Kamchatka peninsula, Russia
formula_title: <missing>
a: 9.132
b: 19.415
c: 13.213
alpha: 90
beta: 90
gamma: 90
cell_volume: 2342.636
crystal_density: 4.030
pub_title:
 Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles,
 Kamchatka peninsula, Russia: Description and crystal structure

atoms_sites:
["K1", "K2", "Pb1", "Pb2", "Zn", "Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Se", "O1", "O2", "O3", "O4", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5", "Cl6", "Cl7"]

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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formula: Pb3 Cu Te C O10 H2
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
a: 10.6522
b: 9.1630
c: 9.6011
alpha: 90
beta: 90
gamma: 90
cell_volume: 937.126
crystal_density: 6.994
atoms_x: MGgXABgHMQBgVyUAmBUlANCWFgBQ9BUA0AAWAJCIDwBwaRwAoH0PALC9DwDQUCoAAFkfAFA6GwCgWx0AID4kAA==
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atoms_occupancy: 0
atoms_u_iso: GPYAAGAcAQAwWwEAAMgAAPCgAADAVwEA4KUBAIC1AQCgAwIAwNoAAOAoAQBg6gAAEL0AAAD6AACAOAEAgDgBAA==
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX.
 Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets

atoms_sites:
["Pb1", "Pb2", "Pb3", "Cu", "Te", "C", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "O-H10"]

atoms_aniso_label:
["Pb1", "Pb2", "Pb3", "Cu", "Te", "C", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "O-H10"]

qdat:
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compound: Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
formula_title: <missing>
a: 10.454
b: 10.454
c: 10.454
alpha: 90
beta: 90
gamma: 90
cell_volume: 1142.477
crystal_density: 8.210
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
formula:
Ba.66 Sr.54 U.2 Ce.04 La.04 Mn.04 Nd.04 Bi.02 Ca.02 Pb.02 (Ta1.75 Nb.1 Sn.1 Si.04 Ti.01) O8.92 Cs.03 H6.068

pub_title:
 Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral
 from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil

atoms_sites:
["BaA", "SrA", "UA", "CeA", "LaA", "MnA", "NdA", "BiA", "CaA", "PbA", "TaB", "NbB", "SnB", "SiB", "TiB", "OX", "O-HX", "WatY", "CsY", "WatY*"]

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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: K5 Fe3 S6 O35 H20
compound: Synthetic
formula_title: beta-K5Fe3O(SO4)6*10H2O
a: 9.491
b: 18.474
c: 18.109
alpha: 90
beta: 92.38
gamma: 90
cell_volume: 3172.434
crystal_density: 2.378
atoms_occupancy: 0
pub_title:
 Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato-
 triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des
 Masschen Salzes

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

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formula: Na3 Al3 Si3 O13.8
compound: Synthetic
pub_title: X-ray study of the nepheline hydrate I structure
formula_title: <missing>
a: 16.426
b: 15.014
c: 5.2235
alpha: 90
beta: 90
gamma: 90
cell_volume: 1288.219
crystal_density: 2.346
atoms_aniso_label: ["Na1", "Na2"]
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atoms_aniso_u23: mBIAAGjt//8=
atoms_sites:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Na Ti Si2 O7.34 H1.68
compound: Kola peninsula, Russia
pub_title: Refined crystal structure of vinogradovite
formula_title: <missing>
a: 5.219
b: 8.691
c: 25.01
alpha: 90
beta: 104.43
gamma: 90
cell_volume: 1098.624
crystal_density: 2.977
atoms_sites: ["Na", "Ti", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2"]
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formula: Ca Cl2 O4 H8
compound: Synthetic
pub_title: Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha
formula_title: <missing>
a: 6.5932
b: 6.3673
c: 8.5606
alpha: 97.83
beta: 93.50
gamma: 110.58
cell_volume: 331.003
crystal_density: 1.837
atoms_x: MEEHAFDBEQCIw/D/8NT0/xgR///4Px0AgCUPABBn7f8QXPP/0CEEAGDc+v/QIiEAEEIhADA2FwDwlw4A
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atoms_z: YPQPAHgRAwDQORkA0K8CAFiXEADASBAAMFIZACCaBAAwCwEA0EQTAEDXCwBwpRIA4M0LAEC7GABQIh8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ca", "Cl1", "Cl2", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: 0PcAAJB4AQAIOAEAmEgBAPjdAQDglgEAwNkBAA==
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atoms_sites:
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qdat:
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formula: Mn6.72 Ca.84 Mg2.6 Al9.84 Si11.5 P.5 O56 H12
compound: Piedmontese Nappe from Punta Gensane, Viu Valley, Western Alps, Italy
formula_title: <missing>
a: 8.6891
b: 5.7755
c: 36.9504
alpha: 90
beta: 90
gamma: 90
cell_volume: 1854.315
crystal_density: 3.543
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:
 Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from
 Piedmont, Italy: the link between "ardennite" and sursassite

atoms_sites:
["MnA1", "CaA1", "MnA2", "MgA2", "MnA3", "MgA3", "MnA4", "MgA4", "MnM1", "MgM1", "AlM2", "MnM2", "AlM3", "MnM3", "AlM4", "SiT1", "SiT2", "SiT3", "SiT4", "PT4", "SiT5", "SiT6", "SiT7", "O1", "O-H2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O-H11", "O-H12", "O-H13", "O14", "O15", "O16", "O17", "O-H18", "O-H19", "O20", "O21", "O22", "O23"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: U As2 (O12 H10)
compound: Jachymov, Czech Republic
formula_title: <missing>
a: 10.9867
b: 10.9867
c: 32.9271
alpha: 90
beta: 90
gamma: 90
cell_volume: 3974.551
crystal_density: 3.944
atoms_sites: ["U", "As", "Wat1", "O-H2", "Wat3", "O4", "O5", "O6", "Wat7"]
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atoms_occupancy: 0
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atoms_aniso_label: ["U", "As", "Wat1", "O-H2", "Wat3", "O4", "O5", "O6", "Wat7"]
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atoms_aniso_u23: KAAAAIAMAAAAAAAAAH0AAAAAAAAg0f//QB8AAKAPAABg8P//
pub_title:
 Stepite, U(AsO3OH)2*4H2O, from Jachymov, Czech Republic:
 the first natural arsenate of tetravalent uranium

qdat:
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formula: Ti1.47 Fe.26 O4 H1.25
compound: Konigshain, northeast Germany
pub_title: Kleberite, Fe3+Ti6O11(OH)5, a new ilmenite alteration product, from Konigshain, northeast Germany
formula_title: <missing>
a: 7.537
b: 4.5795
c: 9.885
alpha: 90
beta: 131.02
gamma: 90
cell_volume: 257.419
crystal_density: 3.875
atoms_sites: ["TiM1", "TiM2", "FeM2", "O1", "O-H2", "O2", "O-H3", "O3", "O4"]
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qdat:
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formula: Ba4 (Fe2.384 Al1.616) Si6.04 Cl2.68 O25.12 H8.16
compound: Esquire No. 8 claim, Big Creek, Fresno County, California, USA
formula_title: <missing>
a: 14.3554
b: 14.3554
c: 6.0065
alpha: 90
beta: 90
gamma: 90
cell_volume: 1237.805
crystal_density: 3.758
atoms_sites: ["Ba", "FeM", "AlM", "Si1", "Si2", "Cl1", "Cl2", "O1", "O2", "O-H2", "O3", "O4", "O-H5"]
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atoms_aniso_label: ["Ba", "FeM", "AlM", "Si1", "Si2", "Cl1", "Cl2", "O1", "O2", "O-H2", "O3", "O4", "O-H5"]
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pub_title:
 Cerchiaraite-(Fe) and cerchiaraite-(Al), two new barium cyclosilicate chlorides
 from Italy and California, USA

qdat:
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formula: Pb4 (Al3.28 Cu.72) Si4.5 O25 Cl S.5 H14
compound: Tiger mine, Arizona, USA
formula_title: <missing>
a: 13.969
b: 14.243
c: 5.893
alpha: 90
beta: 90
gamma: 90
cell_volume: 1172.474
crystal_density: 4.405
atoms_aniso_u11: UOkCACApAgCgAwIAoAMCAKCGAQAA9AEAAHECAMDUAQCggAIAoIYBAOAiAgCgAwIAwNoAAKAJAQCArwIA
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atoms_aniso_u23: AAAAAAAAAACg9v//oPb//wAAAAAAAAAAAAAAAAAAAAAAAAAA4LH//wAAAAAAAAAAAAAAAAAAAAAAAAAA
pub_title:
 Bobmeyerite, a new mineral from Tiger, Arizona, USA, structurally related
 to cerchiaraite and ashburtonite

atoms_sites:
["Pb1", "Pb2", "Al", "Cu", "Si1", "Si2", "O1", "O2", "O3", "O4", "O-H5", "O-H6", "O-H7", "O-H8", "Cl", "Wat9", "S9", "Si9", "O9", "Wat10", "S10", "Si10", "O10"]

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atoms_aniso_label:
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qdat:
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formula: K.52 N.48 H1.92 As4 O6 (Cl.5 Br.3 F.2)
compound: La Fossa crater at Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 5.2386
b: 5.2386
c: 9.014
alpha: 90
beta: 90
gamma: 120
cell_volume: 214.229
crystal_density: 3.644
atoms_sites: ["KM", "NM", "H1M", "H2M", "H3M", "H4M", "As", "O", "ClX", "BrX", "FX"]
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atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAq7AoAAAAAAAAAAAAAAAAAAAAAAA=
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atoms_aniso_label: ["KM", "NM", "H1M", "H2M", "H3M", "H4M", "As", "O", "ClX", "BrX", "FX"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
pub_title:
 Lucabindiite, (K,NH4)As4O6(Cl,Br), a new fumarole mineral from
 the "La Fossa" crater at Vulcano, Aeolian Islands, Italy

qdat:
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formula: Ca2 B2 O5
compound: Fuka, Okayama Prefecture, Japan
formula_title: <missing>
a: 3.5485
b: 6.352
c: 19.254
alpha: 90
beta: 92.393
gamma: 90
cell_volume: 433.608
crystal_density: 2.784
atoms_sites: ["Ca1", "Ca2", "B1", "B2", "O1", "O2", "O3", "O4", "O5"]
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atoms_occupancy: 0
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pub_title:
 Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral
 from Fuka, Okayama Prefecture, Japan
 Note: polytype Shimazakiite-4M

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compound: Fuka, Okayama Prefecture, Japan
formula_title: <missing>
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beta: 90
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pub_title:
 Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral
 from Fuka, Okayama Prefecture, Japan
 Note: polytype Shimazakiite-4O

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formula: Cu9 V4 O18 Cl2
compound: Tolbachik volcano, Kamchatka, Russia
pub_title: Yaroshevskite, Cu9O2(VO4)4Cl2, a new mineral from the Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
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formula: Fe.58 Mg.27 Zn.16 U2 S2 O21 H16
compound: Jeronym mine, Abertamy, Czech Republic
pub_title: Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7
formula_title: <missing>
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b: 16.2478
c: 6.8943
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formula: Ca3 (Ti Fe1.176 Al.824) O8
compound: Hatrurim Basin, Israel
pub_title: Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel
formula_title: <missing>
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b: 11.064
c: 5.5383
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beta: 90
gamma: 90
cell_volume: 332.115
crystal_density: 3.840
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formula: Mn.56 Fe.25 Mg.11 Al.08 Ca7.53 Na1.67 P7 O28 H1.45
compound: the Tanco Mine, Bernic Lake, Manitoba, Canada
formula_title: <missing>
a: 10.3926
b: 10.3926
c: 37.1694
alpha: 90
beta: 90
gamma: 120
cell_volume: 3476.679
crystal_density: 3.026
pub_title:
 Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from
 the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure

atoms_sites:
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formula: V5 Ca Na1.496 O26 H24
compound: Little Eva mine, Grand County, Utah, USA
formula_title: <missing>
a: 10.0099
b: 21.8472
c: 11.1504
alpha: 90
beta: 116.584
gamma: 90
cell_volume: 2180.666
crystal_density: 2.343
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Nashite, Na3Ca2[(V4+V5+9)O28]*24H2O, a new mineral species from the
 Yellow Cat Mining District, Utah and the Slick Rock Mining District,
 Colorado: crystal structure and descriptive mineralogy

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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formula: Na (Fe1.82 Al.18) S4 Cl (N3.892 K.108) O18 H17.568
compound: La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 18.261
b: 18.261
c: 11.562
alpha: 90
beta: 90
gamma: 90
cell_volume: 3855.512
crystal_density: 2.266
atoms_sites: ["Na", "Fe", "Al", "S", "Cl", "N", "K", "O1", "O2", "O3", "O4", "O5", "H1", "H2", "H3", "H4", "H5"]
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pub_title:
 Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy

qdat:
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formula: (Ni.623 Al.377) C.34 O3.02 H2
compound: Agoudal mine, Bou Azzer district, Tazenakht, Morocco
formula_title: <missing>
a: 3.0290
b: 3.0290
c: 22.5995
alpha: 90
beta: 90
gamma: 120
cell_volume: 179.568
crystal_density: 2.806
atoms_sites: ["Ni", "Al", "C", "O1", "O2", "H"]
atoms_x: AAAAAAAAAABVWBQAVVgUAABBCgBVWBQA
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atoms_u_iso: cJQAAHCUAABg2AMAAPoAAIAyAgDgKAEA
atoms_aniso_label: ["Ni", "Al", "C", "O1", "O2"]
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pub_title:
 Contribution to the crystallography of hydrotalcites:
 the crystal structures of woodallite and takovite
 Note: polytype 3R
 Note: calculated chemical formula differs from expected

qdat:
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formula: (Mg.75 Cr.124 Al.039 Fe.087) O2.851 H2 C.07 Cl.11
compound: Mount Keith Nickel Mine, Western Australia, Australia
formula_title: <missing>
a: 3.10124
b: 3.10124
c: 23.6817
alpha: 90
beta: 90
gamma: 120
cell_volume: 197.249
crystal_density: 2.095
atoms_sites: ["Mg1", "Cr", "Al", "Fe", "O1", "H1", "O2", "C1", "Cl1"]
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Contribution to the crystallography of hydrotalcites:
 the crystal structures of woodallite and takovite
 Note: polytype 3R
 Note: calculated chemical formula differs from expected

qdat:
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formula: Ca4 Si2 O16 H16
compound: Mount Lakargi in KabardinoBalkaria, North Caucasus, Russia
pub_title: The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O
formula_title: <missing>
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b: 3.6528
c: 13.068
alpha: 90
beta: 117.25
gamma: 90
cell_volume: 717.483
crystal_density: 2.262
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atoms_sites:
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qdat:
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formula: Fe3 P2 O8
compound: Synthetic
formula_title: <missing>
a: 6.0186
b: 4.7768
c: 10.4192
alpha: 90
beta: 90.952
gamma: 90
cell_volume: 299.507
crystal_density: 3.964
atoms_sites: ["FeM1", "FeM2", "P", "O1", "O2", "O3", "O4"]
atoms_x: gIQeAEB6DgCg4Q8AEPMQALByDwBwYwQAwJYcAA==
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pub_title:
 Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2
 Sample: FE3(PO4)2
 Note: T = 59.7 K

qdat:
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formula: Fe3 P2 O8
compound: Synthetic
formula_title: <missing>
a: 6.01037
b: 4.7727
c: 10.4052
alpha: 90
beta: 90.944
gamma: 90
cell_volume: 298.440
crystal_density: 3.978
atoms_sites: ["FeM1", "FeM2", "P", "O1", "O2", "O3", "O4"]
atoms_x: gIQeAPB+DgCg4Q8AoPQQANB1DwDAXgQAgJAcAA==
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pub_title:
 Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2
 Sample: FE3(PO4)2
 Note: T = 10.1 K

qdat:
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formula: Pb26 Ag9 Cu24 Cl62 (O48 H48)
compound: <missing>
pub_title: The crystal structure of boleite - a mineral containing silver atom clusters
formula_title: <missing>
a: 15.29
b: 15.29
c: 15.29
alpha: 90
beta: 90
gamma: 90
cell_volume: 3574.559
crystal_density: 5.062
atoms_sites: ["Pb1", "Pb2", "Pb3", "Ag1", "Ag2", "Cu1", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5", "O-H1", "O-H2"]
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formula: K Na Cu Si4 O10
compound: Synthetic
pub_title: Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
formula_title: <missing>
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c: 9.7896
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beta: 99.534
gamma: 114.156
cell_volume: 456.317
crystal_density: 2.896
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formula: K Na Fe Si4 O10
compound: Synthetic
pub_title: Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
formula_title: <missing>
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formula: K Na Mn Si4 O10
compound: Synthetic
pub_title: Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
formula_title: <missing>
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formula: Ti2 (V.94 Cr.06) O6 H
compound: Sludyanka complex, South Baikal, Russia
pub_title: Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula
formula_title: <missing>
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b: 4.5624
c: 10.0330
alpha: 90
beta: 93.174
gamma: 90
cell_volume: 387.513
crystal_density: 4.178
atoms_sites: ["TiM1", "TiM2", "VM3", "CrM3", "O1", "O2", "O3", "O4", "O5", "O6", "H5"]
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formula: (W5.53 Fe1.47) Pb1.122 Cs.215 O23 H6.129
compound: Clara mine, Germany
formula_title: <missing>
a: 7.298
b: 7.298
c: 19.582
alpha: 90
beta: 90
gamma: 120
cell_volume: 903.224
crystal_density: 6.376
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pub_title:
 Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered
 pyrochlore-hexagonal tungsten bronze intergrowth structure

atoms_sites:
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formula: (W5.28 Fe1.72) Pb1.146 Cs.214 O23 H6.129
compound: Clara mine, Germany
formula_title: <missing>
a: 7.298
b: 12.640
c: 19.582
alpha: 90
beta: 90
gamma: 90
cell_volume: 1806.375
crystal_density: 6.276
atoms_aniso_label: ["W1", "Fe1", "W2A", "Fe2A", "W2B", "Fe2B", "Pb1B", "Pb2"]
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pub_title:
 Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered
 pyrochlore-hexagonal tungsten bronze intergrowth structure

atoms_sites:
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formula: Pb.98 Sb1.275 As.745 S4
compound: Jas Roux, France
pub_title: Twinnite, Pb0.8Tl0.1Sb1.3As0.8S4, the OD character and the question of its polytypism
formula_title: <missing>
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c: 8.634
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formula: Na.68 (Fe.67 Mn.33) P O4
compound: the Malpensata pegmatite, Lecco Province, Italy
formula_title: <missing>
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b: 10.387
c: 6.091
alpha: 90
beta: 90
gamma: 90
cell_volume: 308.871
crystal_density: 3.573
atoms_sites: ["NaM1", "FeM2", "MnM2", "P", "O1", "O2", "O3"]
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pub_title:
 Karenwebberite, Na(Fe2+,Mn2+)PO4, a new member of the triphylite group
 from the Malpensata pegmatite, Lecco Province, Italy

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formula: Na V6.189 Mg2.586 B3 Si6 O31 H3
compound: Sludyanka complex, southern Baikal region, Russia
formula_title: <missing>
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b: 16.1908
c: 7.4143
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beta: 90
gamma: 120
cell_volume: 1683.206
crystal_density: 3.259
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pub_title:
 Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O:
 Crystal structure and redefinition of the "vanadium-dravite" tourmaline

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compound: <missing>
pub_title: Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = 18 C
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compound: <missing>
pub_title: Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = -140 C
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formula: Ca2 S2 O9 H2
compound: Synthetic
pub_title: Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O
formula_title: <missing>
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compound: Synthetic
pub_title: Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O
formula_title: <missing>
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formula: Ca S O4.662 H1.323
compound: <missing>
pub_title: On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O
formula_title: <missing>
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b: 12.674
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formula: (Ca1.089 Ce1.911) C4 O13 H2
compound: <missing>
pub_title: The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4H2O
formula_title: <missing>
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c: 12.3898
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formula: Ca2 S2 O9 H2
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90.18
gamma: 90
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pub_title:
 Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
 Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen

atoms_sites:
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pub_title:
 Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
 Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen

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formula: Ca S O4
compound: <missing>
pub_title: A more accurate determination of the crystal structure of anhydrite, CaSO4
formula_title: <missing>
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formula: Sc.54 Al.16 Y.07 V.03 Gd.01 Dy.01 Er.01 Ti.66 Zr.13 Mg.11 Ca.06 Fe.02 O3
compound: Allende meteorite
formula_title: <missing>
a: 9.842
b: 9.842
c: 9.842
alpha: 90
beta: 90
gamma: 90
cell_volume: 953.345
crystal_density: 3.870
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pub_title:
 Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[_])2O3, a new ultra-refractory scandia mineral
 from the Allende meteorite: Synchrotron micro-Laue diffraction and electron
 backscatter diffraction
 Note: x-coordinate of Sc2, and coordinates of O atoms are changed
 by personal email with authors May 2013

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formula: Mg.81 Mn.07 Fe.04 Zn.04 Al S2 O24.98 F1.02 H33.96
compound: Rico, Colorado, USA
pub_title: Wilcoxite MgAl(SO4)2F*17H2O, from Rico, Colorado: occurrence and crystal structure
formula_title: <missing>
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c: 14.892
alpha: 79.664
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formula: (K.865 Na.135) Al2.842 Fe.07 Mg.036 Ti.006 Si3.044 O11.946 (F.054 H1.946)
compound: pegmatite in Northern Victoria Land, Antarctica
pub_title: Sodian muscovite-2M1: crystal chemistry and surface features
formula_title: <missing>
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c: 20.0835
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formula: Ca2 S2 O9 H2
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 133.655
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cell_volume: 1056.891
crystal_density: 2.737
atoms_occupancy: 0
pub_title:
 Water channel structure of bassanite at high air humidity:
 crystal structure of CaSO4*0.625H2O
 Note: ambient conditions

atoms_sites:
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compound: Synthetic
formula_title: <missing>
a: 13.8690
b: 13.8690
c: 12.71890
alpha: 90
beta: 90
gamma: 120
cell_volume: 2118.705
crystal_density: 2.773
atoms_occupancy: 0
pub_title:
 Water channel structure of bassanite at high air humidity:
 crystal structure of CaSO4*0.625H2O
 Note: at 75% humidity

atoms_sites:
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formula: Na2.862 Ca.138 Mg.764 Fe1.68 Ti3.556 O12
compound: Orapa area, Botswana
pub_title: Kudryavtsevaite, Na3MgFe3+Ti4O12, a new kimberlitic mineral
formula_title: <missing>
a: 27.714
b: 2.9881
c: 11.3564
alpha: 90
beta: 90
gamma: 90
cell_volume: 940.448
crystal_density: 3.856
atoms_sites:
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formula: Ca S O4.81 H1.62
compound: Synthetic
pub_title: Calcium sulfat subhydrat, CaSO4.0,8H2O
formula_title: <missing>
a: 6.968
b: 6.968
c: 6.410
alpha: 90
beta: 90
gamma: 120
cell_volume: 269.529
crystal_density: 2.786
atoms_sites: ["Ca", "S", "O1", "O2", "Wat"]
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atoms_aniso_label: "<missing>"
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formula: Ca S O4
compound: Synthetic
formula_title: CaSO4
a: 6.9694
b: 6.9694
c: 6.3033
alpha: 90
beta: 90
gamma: 120
cell_volume: 265.149
crystal_density: 2.558
atoms_sites: ["Ca", "S", "O"]
atoms_x: gIQeAICEHgCgNRsA
atoms_y: AAAAAAAAAACwOAgA
atoms_z: AAAAAICEHgCg1hUA
atoms_occupancy: 0
atoms_u_iso: 8MMAAJDnAAAAHQEA
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:
 A crystallographic study of the low-temperature dehydration products of gypsum
 CaSO4*2H2O: hemihydrate CaSO4*0.50H2O, and gamma-CaSO4
 Note: gamma-CaSO4

qdat:
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formula: Ca1.161 Fe.917 Si4.736 Be2.264 O17 H6
compound: Larvik Plutonic Complex, Oslo Region, Southern Norway
formula_title: <missing>
a: 8.7499
b: 4.9160
c: 31.431
alpha: 90
beta: 90.1574
gamma: 90
cell_volume: 1351.984
crystal_density: 2.600
pub_title:
 Ferrochiavennite, a new beryllium silicate zeolite from syenite pegmatites
 in the Larvik Plutonic Complex, Oslo Region, Southern Norway

atoms_sites:
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formula: Na.591 Ca.103 Al7.807 Fe1.108 Mn.005 Ti.002 Mg.572 Si5.506 B3 O31
compound: Zlata Idka, Slovak Republic
formula_title: <missing>
a: 15.916
b: 15.916
c: 7.1071
alpha: 90
beta: 90
gamma: 120
cell_volume: 1559.161
crystal_density: 3.155
pub_title:
 Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
 Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic

atoms_sites:
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formula: Na.586 Ca.017 K.006 Fe1.957 Mn.015 Al6.801 Ti.093 Mg.19 Si5.944 B3 O30.694 F.307 H6.115
compound: Pribyslavice, Czech Republic
formula_title: <missing>
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b: 15.9853
c: 7.1538
alpha: 90
beta: 90
gamma: 120
cell_volume: 1583.102
crystal_density: 3.208
pub_title:
 Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
 Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic

atoms_sites:
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formula: Na2 Mn.44 Mg.29 Ni.06 Co.14 S2 O12 H8
compound: Blue Lizard mine, San Juan County, Utah, USA
formula_title: <missing>
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pub_title:
 Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new
 members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA

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pub_title:
 Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new
 members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA

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formula: Pb.999 Cu2 Te S.5 O8.5 H2
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
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b: 5.2267
c: 9.4878
alpha: 90
beta: 106.815
gamma: 90
cell_volume: 679.413
crystal_density: 6.020
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 X. Bairdite, Pb2Cu2+4Te6+2O10(OH)2(SO4)(H2O), a new mineral with thick HCP layers

atoms_sites:
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formula: Ge Fe (O6 H6)
compound: Tsumeb mine, Nambia
formula_title: <missing>
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b: 7.5520
c: 7.4694
alpha: 90
beta: 90
gamma: 90
cell_volume: 426.000
crystal_density: 3.594
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pub_title:
 Phase transitions in hydroxide perovskites: a Raman spectroscopic study
 of stottite, FeGe(OH)6, to 21 GPa

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formula: Ge Fe (O6 H6)
compound: Tsumeb mine, Nambia
formula_title: <missing>
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b: 7.4695
c: 7.5531
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beta: 90.005
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pub_title:
 Phase transitions in hydroxide perovskites: a Raman spectroscopic study
 of stottite, FeGe(OH)6, to 21 GPa
 Note: this is the preferred structure

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formula: Fe1.5 Ca.5 Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.793
b: 9.078
c: 5.238
alpha: 90
beta: 106.27
gamma: 90
cell_volume: 447.014
crystal_density: 3.804
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pub_title:
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd50Fs50

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compound: Synthetic
formula_title: <missing>
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c: 5.238
alpha: 90
beta: 105.92
gamma: 90
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pub_title:
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd60Fs40

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pub_title:
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd70Fs30

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formula: K.89 Na.12 Li3 Ca7 (Ti1.8 Zr.14 Fe.04 Sn.02) Si12 O37.4 F.4 H1.4
compound: Iwagi Island, Inland Sea, Ehime Prefecture, Japan
pub_title: Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2
formula_title: <missing>
a: 16.9093
b: 9.7287
c: 20.9019
alpha: 90
beta: 112.396
gamma: 90
cell_volume: 3179.122
crystal_density: 2.898
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formula: Ca C O3
compound: theoretical
pub_title: The multiple structures of vaterite
formula_title: <missing>
a: 12.353
b: 7.102
c: 25.733
alpha: 90.46
beta: 99.78
gamma: 90.24
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crystal_density: 2.689
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formula: Ca C O3
compound: theoretical
pub_title: The multiple structures of vaterite
formula_title: <missing>
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alpha: 90.43
beta: 99.88
gamma: 90.29
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.006 Ca4 Si8.952 Be2.995 Al1.053 O28 H2
compound: Kalisay, Kyrgizstan
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 11BAV
formula_title: <missing>
a: 23.2110
b: 4.9721
c: 19.4189
alpha: 90
beta: 90
gamma: 90
cell_volume: 2241.085
crystal_density: 2.719
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.087 Ca3.745 Si9.168 Be3.21 Al.622 O28 H2
compound: Baveno, Italy
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 12BAV
formula_title: <missing>
a: 23.198
b: 4.9620
c: 19.4262
alpha: 90
beta: 90
gamma: 90
cell_volume: 2236.120
crystal_density: 2.689
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.036 Ca3.953 Si9.011 Be2.49 Al1.499 O28 H2
compound: Londonderry, West Australia
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 13BAV
formula_title: <missing>
a: 23.2164
b: 5.0023
c: 19.4447
alpha: 90
beta: 90
gamma: 90
cell_volume: 2258.218
crystal_density: 2.721
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.026 Ca3.977 Si8.997 Be3.08 Al.923 O28 H2
compound: Sandvik Property, Zealand Twp., Kenora District, Ontario
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 14BAV
formula_title: <missing>
a: 23.2066
b: 4.9681
c: 19.4085
alpha: 90
beta: 90
gamma: 90
cell_volume: 2237.659
crystal_density: 2.717
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.009 Ca4 Si8.94 Be2.178 Al1.882 O28 H2
compound: Foote Mine, King's Mountain, Cleavland County, North Carolina
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 15BAV
formula_title: <missing>
a: 23.1995
b: 5.0111
c: 19.4454
alpha: 90
beta: 90
gamma: 90
cell_volume: 2260.625
crystal_density: 2.738
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_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.003 Ca3.976 Si9 Be2.26 Al1.718 O28 H2
compound: Lily Pad Lake, Fort Hope, Ontario, Canada
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 19BAV
formula_title: <missing>
a: 23.2075
b: 5.0063
c: 19.4428
alpha: 90
beta: 90
gamma: 90
cell_volume: 2258.937
crystal_density: 2.731
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_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.003 Ca4 Si8.964 Be2.22 Al1.816 O28 H2
compound: Aple Rossa, Oresco, Novara, Italy
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 21BAV
formula_title: <missing>
a: 23.2077
b: 5.0096
c: 19.4422
alpha: 90
beta: 90
gamma: 90
cell_volume: 2260.375
crystal_density: 2.736
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na.012 Ca4 Si8.989 Be2.701 Al1.301 O28 H2
compound: Oresco, Val Vigeddo, Italy
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 23BAV
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pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 25BAV
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compound: Lily Pad Lake, Fort Hope, Ontario, Canada
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 27BAV
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compound: Lily Pad Lake, Fort Hope, Ontario, Canada
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 28BAV
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compound: Lily Pad Lake, Fort Hope, Ontario, Canada
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 29BAV
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pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 31BAV
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pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 32BAV
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compound: Vlastejovice, Czech Republic
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 33BAV
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formula: Na.145 Ca3.803 Si9.052 Be3.358 Al.59 O28 H2
compound: Mont Saint-Hilaire, Quebec, Canada
pub_title: Short-range constraints on chemical and structural variations in bavenite Sample: 35BAV
formula_title: <missing>
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b: 4.9734
c: 19.4678
alpha: 90
beta: 90
gamma: 90
cell_volume: 2251.189
crystal_density: 2.674
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