# cif

formula: K.86 Na.05 Ba.045 Mg1.44 Fe1.12 Ti.23 Mn.01 Li.23 Si2.59 Al1.37 O11.82 F.18 H1.59
compound: Mt. Vulture, Italy
formula_title: <missing>
a: 5.346
b: 9.258
c: 10.208
alpha: 90
beta: 100.12
gamma: 90
cell_volume: 497.367
crystal_density: 3.042
pub_title:
 Trioctahedral micas-1M from Mt. Vulture (Italy): Structural
 disorder and crystal chemistry
 Sample: LC7N

atoms_sites:
["K", "Na", "Ba", "MgM2", "FeM2", "TiM2", "MnM1", "LiM1", "MgM1", "FeM1", "SiT", "AlT", "FeT", "O1", "O2", "O3", "O-H", "F", "O"]

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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atoms_aniso_u11:
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atoms_aniso_u22:
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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: K.89 Na.06 Ba.02 Al1.43 Mg2.13 Fe.6 Ti.13 Mn.01 Si2.58 O11.76 (F.24 H1.76)
compound: Mt. Vulture, Italy
formula_title: <missing>
a: 5.327
b: 9.225
c: 10.236
alpha: 90
beta: 99.99
gamma: 90
cell_volume: 495.387
crystal_density: 2.926
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKAeIwCgHiMAAMgyAEDiHgCQeyYA4P4HAOD+BwA=
atoms_y: AAAAAAAAAAAAAAAA0OgyANDoMgDQ6DIA0OgyAICEHgCAhB4AgIQeANAvCgDQLwoAUKcNAAAAAADwMgoAAAAAAAAAAAA=
atoms_z: AAAAAAAAAAAAAAAAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAPDPDQDwzw0AsF4KAOBvCgCw8RcAwDEYAMAxGAA=
atoms_occupancy: QFI2AICpAwCAOAEAIE4AAKDpLwCg2QgAoPcDAECcAADA6xIAAC4iACBeJwDgqhUAAAk9AAAJPQAACT0AALY1AABTBwA=
atoms_u_iso: wAYCAMAGAgDABgIAMI4AADCOAAAwjgAAMI4AAGCGAABghgAAYIYAADCOAAAwjgAAwIkBAOCMAQCAcAAAsJoAALCaAAA=
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFD7//9Q+///INH//wAAAAAAAAAAAAAAAAAAAAA=
pub_title:
 Trioctahedral micas-1M from Mt. Vulture (Italy): Structural
 disorder and crystal chemistry
 Sample: LC7G

atoms_sites:
["K", "Na", "Ba", "AlM2", "MgM2", "FeM2", "TiM2", "MnM1", "FeM1", "MgM1", "SiT", "AlT", "O1", "O2", "O3", "O-H", "F"]

atoms_aniso_label:
["K", "Na", "Ba", "AlM2", "MgM2", "FeM2", "TiM2", "MnM1", "FeM1", "MgM1", "SiT", "AlT", "O1", "O2", "O3", "O-H", "F"]

qdat:
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formula: K.89 Na.06 Ba.02 Al1.43 Mg2.13 Fe.6 Ti.13 Mn.01 Si2.58 O11.76 F.24 H1.76
compound: Mt. Vulture, Italy
formula_title: <missing>
a: 5.327
b: 9.225
c: 10.236
alpha: 90
beta: 99.99
gamma: 90
cell_volume: 495.387
crystal_density: 2.926
pub_title:
 Trioctahedral micas-1M from Mt. Vulture (Italy): Structural
 disorder and crystal chemistry
 Sample: LC7G - C2

atoms_sites:
["K", "Na", "Ba", "AlM3", "MgM3", "FeM3", "TiM3", "AlM2", "FeM2", "TiM2", "MgM2", "MnM1", "FeM1", "MgM1", "SiT1", "AlT1", "SiT11", "AlT11", "O1", "O11", "O2", "O3", "O33", "O-H4", "O-H", "F", "KD", "NaD", "BaD", "SiTD1", "AlTD1", "OD1", "OD11", "OD2", "O-HD", "FD"]

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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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: Na1.55 K.45 Si2 O5
compound: <missing>
pub_title: The crystal structure of a mixed alkali phyllosilicate with composition Na1.55K0.45Si2O5
formula_title: Na1.55K.45Si2O5
a: 4.845
b: 8.647
c: 11.992
alpha: 90
beta: 90.31
gamma: 90
cell_volume: 502.394
crystal_density: 2.504
atoms_sites: ["NaM1", "KM1", "NaM2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: IJ4tACCeLQAw9y0AAO0wAAAqEgCAsg4AkKIsAFCIDgAwJyYAMH0HAA==
atoms_y: IHQ0ACB0NADwWxgA8N0TAGAKHQBQwxkAECwUALBAKADwexsAUCAXAA==
atoms_z: 8Drf//A63/+gnuT/wFT1/4Cq7v/wCuf/sC/9/6AL8P8QufD/EG/0/w==
atoms_occupancy: wJEhAEB3GwAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: sGIBALBiAQBQcgEAsP4AALDlAAAQ6QEAYGcBAKCGAQDgpQEA8JoBAA==
atoms_aniso_label: ["NaM1", "KM1", "NaM2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: 4CgBAOAoAQBg6gAAIMsAAOCrAADAVwEAQBkBAAB3AQCAtQEAQJYBAA==
atoms_aniso_u22: YGcBAGBnAQBg5AEA4CgBAKAJAQDAzgIAQJYBAMDUAQDAVwEAYOQBAA==
atoms_aniso_u33: QJYBAECWAQCghgEAoAkBAAD6AABAlgEAoIYBACBIAQBg5AEAwFcBAA==
atoms_aniso_u12: AAAAAAAAAAAg0f//YPD//6APAAAAfQAAINH//2DqAACAwf//wOD//w==
atoms_aniso_u13: gMH//4DB//9AHwAAoA8AAOAuAAAg0f//wF0AAAAAAABg8P//wOD//w==
atoms_aniso_u23: YPD//2Dw///gsf//oA8AAKAPAADA4P//wF0AAAAAAAAg0f//INH//w==
qdat:
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formula: K Ca.55 Na1.39 Fe5.06 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 10.1448
b: 18.1841
c: 5.2962
alpha: 90
beta: 104.415
gamma: 90
cell_volume: 946.253
crystal_density: 3.462
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKirEAAobBEAAL0GAABsBwDQeQYAALgLADA8FgDw1xQA0IkUABDhEwA=
atoms_y: gIQeABDuEAAQ7hAAAJsFADA4CwAAAAAAEO4QAEAzBQDgZQoAcHYFAPiOCgAAAAAAAAAAAED3DgD4yAcAEBYHAAAAAAA=
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAAgIQeAPDuEQCQ5DAA8NUMABBkLAAwOysAoHIuAKCYMAAgSQUAcNUjAEAXEgA=
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atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure and Mossbauer spectroscopy of the synthetic amphibole
 potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K)
 Sample: Ri1, T = 298 K

atoms_sites:
["KA2/m", "CaM4", "NaM4", "FeM1", "FeM2", "FeM3", "FeM4", "Si1", "Si2", "O1", "O2", "O3", "H", "O4", "O5", "O6", "O7"]

qdat:
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formula: K Ca.57 Na1.37 Fe5.06 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 10.1306
b: 18.1678
c: 5.2889
alpha: 90
beta: 104.54
gamma: 90
cell_volume: 942.250
crystal_density: 3.478
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAPiwEABgcBEAcLsGAKBiBwAgdQYAIIkLAKA6FgBw5BQAEJAUACDvEwA=
atoms_y: gIQeAKDqEACg6hAAwJkFAFgzCwAAAAAAoOoQAOAzBQDQZgoAgHUFAPiOCgAAAAAAAAAAABj8DgBg1AcAIBAHAAAAAAA=
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAAgIQeALD8EQAg8DAAYNQMAMBoLADAPCsAwMYtAHCHMAAwcAUAkPEjAKAHEgA=
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atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure and Mossbauer spectroscopy of the synthetic amphibole
 potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K)
 Sample: Ri1, T = 110 K

atoms_sites:
["KA2/m", "CaM4", "NaM4", "FeM1", "FeM2", "FeM3", "FeM4", "Si1", "Si2", "O1", "O2", "O3", "H", "O4", "O5", "O6", "O7"]

qdat:
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formula: K (Ca.52 Na1.48) Fe5 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 10.1361
b: 18.1648
c: 5.3030
alpha: 90
beta: 104.327
gamma: 90
cell_volume: 946.023
crystal_density: 3.454
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKQQALhoEQBwuwYAwGUHACB1BgDAJwkAoDoWAGDWFACwhhQA4M8TAA==
atoms_y: gIQeABjwEAAY8BAAiJoFAIg6CwAAAAAAmDUFAPhmCgBgfAUAYJAKAAAAAAAAAAAAwPkOAJDHBwCAGQcAAAAAAA==
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAAkPQRABjpMACA1wwAsHMsAMA8KwCAuSoAsKYwAEBMBQBw1SMAsC4SAA==
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atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure and Mossbauer spectroscopy of the synthetic amphibole
 potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K)
 Sample: Ri15, T = 298 K

atoms_sites:
["KA2/m", "CaM4", "NaM4", "FeM1", "FeM2", "FeM3", "Si1", "Si2", "O1", "O2", "O3", "H", "O4", "O5", "O6", "O7"]

qdat:
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formula: (Bi.653 Ca.347) (Co1.04 Ni.6 Fe.36) As2 O10 H3
compound: Schneeberg, Saxony, Germany
formula_title: <missing>
a: 9.005
b: 6.211
c: 7.440
alpha: 90
beta: 115.19
gamma: 90
cell_volume: 376.547
crystal_density: 5.114
atoms_sites: ["BiMe1", "CaMe1", "CoMe2", "NiMe2", "FeMe2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
atoms_x: AAAAAAAAAABAQg8AQEIPAEBCDwAQzDcAUEUVAFBFFQAgchMAAA0CABDNDgA=
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atoms_u_iso: ENYAABDWAABAagAAQGoAAEBqAAAwdQAA8LkAAPC5AADQtgAA4JIAAMAMAQA=
atoms_aniso_label: ["BiMe1", "CaMe1", "CoMe2", "NiMe2", "FeMe2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
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atoms_aniso_u23: AAAAAAAAAADA+f//wPn//8D5//8AAAAAAAAAAAAAAAAAAAAAwOD//wAAAAA=
pub_title:
 Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany:
 the first Bi-bearing members of the tsumcorite group
 Sample: #358

qdat:
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formula: (Bi.551 Ca.449) Ni Co.62 Fe.4 As2 O10 H3
compound: Schneeberg, Saxony, Germany
formula_title: <missing>
a: 8.995
b: 6.207
c: 7.462
alpha: 90
beta: 115.00
gamma: 90
cell_volume: 377.584
crystal_density: 4.957
atoms_sites: ["BiMe1", "CaMe1", "NiMe2", "CoMe2", "FeMe2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
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atoms_aniso_label: ["BiMe1", "CaMe1", "NiMe2", "CoMe2", "FeMe2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
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pub_title:
 Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany:
 the first Bi-bearing members of the tsumcorite group
 Sample: #374

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formula: (Fe1.544 Mg.456) P O5 H
compound: <missing>
formula_title: <missing>
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b: 11.355
c: 5.0394
alpha: 90
beta: 90
gamma: 120
cell_volume: 562.709
crystal_density: 3.706
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pub_title:
 Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure
 and infrared absorption spectra
 Note: z-coordinate of O6 altered by author, August 2003.

atoms_sites:
["FeM1", "MgM1", "FeM2", "MgM2", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O-h1", "O-h2", "O-h3", "H1", "H2"]

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formula: Pb7 Cl2 O8 H4
compound: <missing>
pub_title: Crystal chemistry of lead oxide chlorides. II. Crystal structure of Pb7O4(OH)4Cl2
formula_title: Pb7O4(OH)4Cl2
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b: 12.998
c: 19.330
alpha: 90
beta: 90
gamma: 90.089
cell_volume: 1454.995
crystal_density: 7.548
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formula: Ba Mg5 P4 (O24 H16)
compound: <missing>
formula_title: <missing>
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b: 12.8304
c: 18.313
alpha: 90
beta: 90.025
gamma: 90
cell_volume: 1958.511
crystal_density: 2.655
atoms_occupancy: 0
pub_title:
 Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison
 with bakhchisaraitsevite

atoms_sites:
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formula: Ca.15 Mg1.85 Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.654
b: 8.845
c: 5.203
alpha: 90
beta: 108.37
gamma: 90
cell_volume: 421.642
crystal_density: 3.200
atoms_sites: ["CaM2", "MgM2", "MgM1", "SiTA", "SiTB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Average and local structure in P2_1/c clinopyroxenes along the
 join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: Di15En85 (non-split model)
 Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003

qdat:
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formula: Ca.15 Mg1.85 Si2 O6
compound: <missing>
formula_title: <missing>
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c: 5.203
alpha: 90
beta: 108.37
gamma: 90
cell_volume: 421.642
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pub_title:
 Average and local structure in P2_1/c clinopyroxenes along the
 join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: Di15En85 (split model)

atoms_sites:
["CaM2", "MgM2", "MgM1", "SiTA", "SiTB", "O1A", "O2A", "O3A*", "O3A**", "O1B", "O2B*", "O2B**", "O3B*", "O3B**"]

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compound: <missing>
formula_title: <missing>
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cell_volume: 426.295
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pub_title:
 Average and local structure in P2_1/c clinopyroxenes along the
 join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: Di23En77 (non-split model)

qdat:
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formula: Ca.23 Mg1.77 Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.690
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c: 5.229
alpha: 90
beta: 108.31
gamma: 90
cell_volume: 426.295
crystal_density: 3.185
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pub_title:
 Average and local structure in P2_1/c clinopyroxenes along the
 join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: Di23En77 (split model)

atoms_sites:
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formula: Ca Si3 Al2 O13 H6
compound: <missing>
pub_title: High-pressure structural behaviour of scolecite Sample: P = .0001 GPa
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 1148.758
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pub_title: High-pressure structural behaviour of scolecite Sample: P = 3.38 GPa
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pub_title:
 High-pressure structural behaviour of scolecite
 Sample: P = .0001 GPa (after compression)
 Note: y-coordinate of O5 altered to match bond lengths

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gamma: 90
cell_volume: 174.583
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pub_title:
 Crystal structure analysis and refinement of digenite, Cu1.8S, in the
 temperature range 20 to 500 C under controlled sulfur partial pressure
 Sample: T = 200 C

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pub_title:
 Crystal structure analysis and refinement of digenite, Cu1.8S, in the
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 Sample: T = 300 C, sometimes called high-chalcocite

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pub_title:
 Crystal structure analysis and refinement of digenite, Cu1.8S, in the
 temperature range 20 to 500 C under controlled sulfur partial pressure
 Sample: T = 400 C

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pub_title:
 Crystal structure analysis and refinement of digenite, Cu1.8S, in the
 temperature range 20 to 500 C under controlled sulfur partial pressure
 Sample: T = 500 C, sometimes called high-digenite

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compound: Tuscany, Italy
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pub_title:
 Lead-antimony sulfosalts from Tuscany (Italy). V. Definition and crystal
 structure of moeloite, Pb6Sb6S14(S3), a new mineral from the Ceragiola
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pub_title:
 Synthetic tourmaline (olenite) with excess boron replacing silicon in the
 tetrahedral site: II. Structure analysis
 Sample: 1

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pub_title:
 Synthetic tourmaline (olenite) with excess boron replacing silicon in the
 tetrahedral site: II. Structure analysis
 Sample: 2

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pub_title:
 A crystal chemical insight into sector zoning of a titanian andradite
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 Sample: (121)

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pub_title:
 A crystal chemical insight into sector zoning of a titanian andradite
 ('melanite') crystal
 Sample: (011)

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pub_title:
 A crystal chemical insight into sector zoning of a titanian andradite
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 Sample: (110)

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pub_title:
 Ultrahigh potassium content in the clinopyroxene structure:
 an X-ray single-crystal study
 Sample: K1

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pub_title:
 Ultrahigh potassium content in the clinopyroxene structure:
 an X-ray single-crystal study
 Sample: K2

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formula: Na.541 Ca.023 Al8.217 Li.63 Mn.087 Fe.042 Si5.454 B3.402 O30.838 F.161 Cl.001 H3.832
compound: Olenii Range, Kola Peninsula, Russia
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 1530.792
crystal_density: 3.049
pub_title:
 Reexamination of olenite from the type locality: detection of boron
 in tetrahedral coordination
 Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003

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formula: Al7 Fe2.6 Ti.4 Mg O16 H
compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal chemistry of the polysome ferrohogbomite-2N2S,
 a long-known but newly defined mineral species

atoms_sites:
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formula: Ce3.686 Ca.14 Fe1.74 Mg.24 Ti2.74 Nb.14 Si4 O22 H1.28
compound: <missing>
pub_title: The crystal structure of natural Fe-rich chevkinite-(Ce)
formula_title: <missing>
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b: 5.728
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alpha: 90
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gamma: 90
cell_volume: 839.656
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formula: Sr4 Ti5 Si4 O22
compound: Itoigawa-Ohmi district, Niigata Prefecture, Japan
formula_title: <missing>
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b: 5.631
c: 11.8920
alpha: 90
beta: 114.143
gamma: 90
cell_volume: 846.323
crystal_density: 4.137
atoms_sites: ["Sr1", "Sr2", "Ti1", "Ti2", "Ti3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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atoms_aniso_label: ["Sr1", "Sr2", "Ti1", "Ti2", "Ti3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Matsubaraite, Sr4Ti5(Si2O7)2O8, a new mineral, the Sr-Ti analogue
 of perrierite in jadeitite from the Itoigawa-Ohmi district,
 Niigata Prefecture, Japan

qdat:
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formula: Si4 Mg2 (O15 H9)
compound: <missing>
formula_title: <missing>
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b: 17.876
c: 5.251
alpha: 90
beta: 107.01
gamma: 90
cell_volume: 1194.174
crystal_density: 2.281
atoms_sites: ["Si1", "Si2", "Mg2", "Mg3", "O-H", "O1", "O2", "Wat1", "O3", "O4", "O5", "O6", "WatZ1", "WatZ2"]
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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: MP

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formula: Si4 Mg2 (O15 H9)
compound: <missing>
formula_title: <missing>
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b: 17.882
c: 5.249
alpha: 90
beta: 90
gamma: 90
cell_volume: 1197.875
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atoms_sites: ["Si1", "Si2", "Mg2", "Mg3", "O-H", "O1", "O2", "Wat1", "O3", "O4", "O5", "O6", "WatZ1", "WatZ2"]
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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: OP

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formula: Si4 Mg2 O14.568 C.718 N.088 H7.96
compound: <missing>
formula_title: <missing>
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b: 17.885
c: 5.250
alpha: 90
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cell_volume: 1202.648
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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: Mp+indigo

atoms_sites:
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formula: Si8 Mg4 O28.174 C1.764 N.224 H13.9
compound: <missing>
formula_title: <missing>
a: 12.720
b: 17.886
c: 5.254
alpha: 90
beta: 90
gamma: 90
cell_volume: 1195.337
crystal_density: 2.253
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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: Op+indigo

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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: MP (3 cells+indigo)

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pub_title:
 Crystal structure refinements of palygorskite and Maya Blue from molecular
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 Sample: OP (3 cells+indigo)

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pub_title:
 Crystal structure, cation ordering, and polytypic character of diaphorite,
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pub_title: Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis
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pub_title:
 Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic
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pub_title:
 Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic
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pub_title: Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and crystal structure
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formula: Li Si2 Al O7 H2
compound: King's Mountain, North Carolina, USA
pub_title: Effects of pressure on the structure of bikitaite P = 0.0001 GPa
formula_title: <missing>
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pub_title: Effects of pressure on the structure of bikitaite P = 0.0001 GPa after decompression
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pub_title:
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
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pub_title:
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
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pub_title:
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
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pub_title:
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
 powder diffraction
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formula: Cu4 S (O10 H6)
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pub_title: Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_1 polytype
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formula: Ca Mg B2 O5
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pub_title: Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
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formula: Ca Mg B2 O5
compound: Sayak, Kazackhstan
pub_title: Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
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formula: Al1.98 Si3.11 Fe.98 Mg.03 Mn.11 Li.68 K.91 Na.03 O10.64 F1.36 H.3
compound: <missing>
pub_title: Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 6-c
formula_title: <missing>
a: 5.309
b: 5.309
c: 29.846
alpha: 90
beta: 90
gamma: 120
cell_volume: 728.521
crystal_density: 3.006
atoms_sites:
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qdat:
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formula: Si3.13 Al1.88 Ti.05 Fe1.02 Mg.08 Mn.08 Li.65 K.97 Na.02 O10.75 F1.25 H.25
compound: <missing>
pub_title: Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 6-r
formula_title: <missing>
a: 5.305
b: 5.305
c: 29.827
alpha: 90
beta: 90
gamma: 120
cell_volume: 726.961
crystal_density: 3.037
atoms_sites:
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formula: Si3.22 Al1.68 Ti.03 Fe1.26 Mg.02 Mn.05 Li.62 K.98 Na.04 O10.71 F1.29 H.15
compound: <missing>
pub_title: Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 103
formula_title: <missing>
a: 5.316
b: 5.316
c: 29.846
alpha: 90
beta: 90
gamma: 120
cell_volume: 730.444
crystal_density: 3.071
atoms_sites:
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formula: Ca.04 Mg1.96 Si2 O6
compound: <missing>
formula_title: <missing>
a: 18.262
b: 8.826
c: 5.192
alpha: 90
beta: 90
gamma: 90
cell_volume: 836.849
crystal_density: 3.197
atoms_sites: ["CaM2", "MgM2", "MgM1", "SiTA", "SiTB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: D4En96

qdat:
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compound: <missing>
formula_title: <missing>
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b: 8.836
c: 5.196
alpha: 90
beta: 90
gamma: 90
cell_volume: 838.718
crystal_density: 3.198
atoms_sites: ["CaM2", "MgM2", "MgM1", "SiTA", "SiTB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6)
 Sample: D7E93

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compound: <missing>
formula_title: <missing>
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b: 12.270
c: 12.270
alpha: 90
beta: 90
gamma: 90
cell_volume: 1847.284
crystal_density: 2.885
atoms_sites: ["Ca", "Al", "Si", "O", "H"]
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atoms_u_iso: 4JIAABDWAABwYgAAMFYBAAASegA=
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pub_title:
 A new occurrence of katoite and re-examination of the hydrogrossular group
 Sample: Unsplit-O model, T = 200 K

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compound: <missing>
formula_title: <missing>
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b: 12.270
c: 12.270
alpha: 90
beta: 90
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cell_volume: 1847.284
crystal_density: 2.887
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pub_title:
 A new occurrence of katoite and re-examination of the hydrogrossular group
 Sample: Split-O model, T = 200 K

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formula: Al1.976 Mg.994 Zn.004 Cr.025 O4
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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2B


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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2F

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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2G

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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2C

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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
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 Sample: T4-2I

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compound: Olkhon metamorphic complex, Russia
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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2L

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compound: Olkhon metamorphic complex, Russia
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pub_title:
 Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
 from the Olkhon metamorphic complex, Russia
 Sample: T4-2E


formula: K.9 Na.941 Mg1.971 Fe.09 Mn.01 Ti.01 (Si3.98 Al.02) O10 F2
compound: Khidiny massif, Kola Peninsula, Russia
formula_title: <missing>
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pub_title:
 Shirokshinite, K(NaMg2)Si4O10F2, a new mica with octahedral Na from Khidiny massif,
 Kola Peninsula: descriptive data and structural disorder

atoms_sites:
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formula: (Ca.959 Na.041) Si4 Al2 O13.82 H3.64
compound: <missing>
pub_title: High-temperature crystal structure of wairakite Sample: Wai-20, T = 20 C
formula_title: <missing>
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compound: <missing>
pub_title: High-temperature crystal structure of wairakite Sample: Wai-170, T = 170 C
formula_title: <missing>
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compound: <missing>
pub_title: High-temperature crystal structure of wairakite Sample: Wai-210, T = 210 C
formula_title: <missing>
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compound: <missing>
pub_title: High-temperature crystal structure of wairakite Sample: Wai-400, T = 400 C
formula_title: <missing>
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formula: Ca.479 Si2 Al O6
compound: <missing>
pub_title: High-temperature crystal structure of wairakite Sample: Wai-600, T = 600 C
formula_title: <missing>
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b: 13.645
c: 13.515
alpha: 90
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formula: Na.775 O30.897 K.035 Ca.472 Mg.022 Sr.002 Si10.133 Al1.85 Fe.007 H13.794
compound: <missing>
pub_title: In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 25 C
formula_title: <missing>
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b: 20.494
c: 7.531
alpha: 90
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gamma: 90
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formula: O28.887 Ca.439 Mg.008 Si10.133 Al1.85 Fe.007 H9.774
compound: <missing>
pub_title: In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 200 C
formula_title: <missing>
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pub_title: In situ time resolved synchrotron powder diffraction study of mordenite Sample: T = 830 C
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formula: Zr1.31 Ca3.27 Fe.24 Mn1.1 Ce.08 Y.04 Na6.91 Ti.87 Nb.1 Si8 O30.4 F5.6
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pub_title:
 Kochite, a new member of the rosenbuschite group from the Werner
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pub_title:
 Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from
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compound: <missing>
pub_title: Characterization of basic cancrinite synthesized in a butanediol-water system
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: N1SP6

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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
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 Sample: I2SP1

atoms_sites:
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: 9817A

atoms_sites:
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: 9815B

atoms_sites:
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: 297B2

atoms_sites:
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: H1SP2

atoms_sites:
["MgT", "AlT", "Fe2T", "Fe3T", "MnT", "SiT", "AlM", "CrM", "MgM", "Fe2M", "Fe3M", "NiM", "TiM", "VM", "O"]

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formula: Mg.68 Al1.152 Fe.45 Mn.005 Si.001 Cr.694 Ni.005 Ti.009 V.004 O4
compound: Predazzo area, Dolomites, Northern Italy
formula_title: <missing>
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alpha: 90
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cell_volume: 555.433
crystal_density: 4.163
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: M2SP1

atoms_sites:
["MgT", "AlT", "Fe2T", "Fe3T", "MnT", "SiT", "AlM", "CrM", "MgM", "Fe2M", "Fe3M", "NiM", "TiM", "VM", "O"]

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compound: Predazzo area, Dolomites, Northern Italy
formula_title: <missing>
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b: 8.214
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cell_volume: 554.197
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: CRSP1

atoms_sites:
["MgT", "AlT", "Fe2T", "Fe3T", "MnT", "SiT", "AlM", "CrM", "MgM", "Fe2M", "Fe3M", "NiM", "TiM", "O"]

qdat:
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formula: Mg.736 Al1.129 Fe.307 Mn.004 Si.002 Zn.003 Cr.799 Ni.005 Ti.005 O4
compound: Predazzo area, Dolomites, Northern Italy
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 553.974
crystal_density: 4.126
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: CRSP4

atoms_sites:
["MgT", "AlT", "Fe2T", "Fe3T", "MnT", "SiT", "ZnT", "AlM", "CrM", "MgM", "Fe2M", "Fe3M", "NiM", "TiM", "O"]

qdat:
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formula: Mg.741 Al1.127 Fe.307 Mn.004 Si.001 Cr.811 Ni.004 Ti.005 O4
compound: Predazzo area, Dolomites, Northern Italy
formula_title: <missing>
a: 8.2139
b: 8.2139
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alpha: 90
beta: 90
gamma: 90
cell_volume: 554.177
crystal_density: 4.134
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pub_title:
 Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle
 xenoliths from the Predazzo Area (Dolomites, Northern Italy)
 Sample: CRSP3

atoms_sites:
["MgT", "AlT", "Fe2T", "Fe3T", "MnT", "SiT", "AlM", "CrM", "MgM", "Fe2M", "Fe3M", "NiM", "TiM", "O"]

qdat:
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formula: Ti3 Si4 Na3 Sr2 (O18 H2)
compound: Lovozero alkaline massif, Kola peninsula, Russia
formula_title: <missing>
a: 19.215
b: 7.061
c: 5.3719
alpha: 90
beta: 96.797
gamma: 90
cell_volume: 723.721
crystal_density: 3.626
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pub_title:
 Crystal structures of lamprophyllite-2M and lamprophyllite-2O
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 Note: displacement factors have been altered by Krivovichev, November 2003

qdat:
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formula: Ti3 Si4 Na3 Sr2 (O18 H2)
compound: Lovozero alkaline massif, Kola peninsula, Russia
formula_title: <missing>
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b: 7.0799
c: 5.3824
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beta: 90
gamma: 90
cell_volume: 728.908
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pub_title:
 Crystal structures of lamprophyllite-2M and lamprophyllite-2O
 from the Lovozero alkaline massif, Kola peninsula, Russia
 Note: displacement factors have been altered by Krivovichev, November 2003

qdat:
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formula: Fe1.642 Mg1.5 P4 Al3.858 O24 H10
compound: Rapid Creek, Yukon, Canada
formula_title: <missing>
a: 7.2223
b: 11.7801
c: 5.1169
alpha: 90.158
beta: 109.938
gamma: 81.330
cell_volume: 404.018
crystal_density: 3.083
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pub_title:
 A crystal structure for the souzalite/gormanite series from synchrotron
 powder diffraction data
 Note: sample is exactly in middle of souzalite/gormanite series

atoms_sites:
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formula: (La1.725 Ho.275) Si2 O7
compound: Bastnas, Skinnskatteberg, Sweden
pub_title: Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatteberg, Sweden
formula_title: <missing>
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b: 6.7805
c: 24.689
alpha: 90
beta: 90
gamma: 90
cell_volume: 1135.081
crystal_density: 5.303
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atoms_sites:
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formula: Ce (Fe2.49 Al.51) As1.848 O14 H6
compound: Stavelot Massif, Belgium
pub_title: Gaulichite-(Ce), a new arsenate mineral from the Stavelot Massif, Belgium
formula_title: <missing>
a: 7.288
b: 7.288
c: 16.812
alpha: 90
beta: 90
gamma: 120
cell_volume: 773.333
crystal_density: 4.261
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formula: Al2 Si O4.6 F1.4 H.6
compound: Sulu UHP terrane, Eastern China
formula_title: <missing>
a: 4.6696
b: 8.8486
c: 8.3915
alpha: 90
beta: 90
gamma: 90
cell_volume: 346.732
crystal_density: 3.503
atoms_sites: ["Al", "Si", "O1", "O2", "O3", "F", "O", "H"]
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atoms_aniso_label: ["Al", "Si", "O1", "O2", "O3", "F", "O"]
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pub_title:
 X-ray single-crystal structure refinement of an OH-rich topaz from Sulu UHP terrane
 (Eastern China) - Structural foundation of the correlation between cell parameters
 and fluorine content

qdat:
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formula: Mg.911 Fe.854 Al.033 Mn.027 Ti.01 Na.003 Ca.192 Si1.97 O6
compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 432.867
crystal_density: 3.556
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pub_title:
 Topological analysis of the electron density of the clinopyroxene
 structure by the maximum entropy method: an exploratory study
 Sample: BTS-308 n.13
 Note: Site occupancies are from personal communication with Camara, Dec 2003

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pub_title:
 Topological analysis of the electron density of the clinopyroxene
 structure by the maximum entropy method: an exploratory study
 Sample: Dien2
 Note: c-cell parameter changed by personal communication with author, Dec 2003

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formula: Mg8 B3.39 Si.61 O13.84 F2.16 H.96
compound: east of Verkhoyansk, Sakha-Yakutia, Russia
formula_title: <missing>
a: 20.490
b: 4.571
c: 11.890
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gamma: 90
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pub_title:
 Pertsevite, a new silication magnesioborate mineral with an end-member
 composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia

atoms_sites:
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formula: K5.37 Na15.5 Ca2.91 Si18 Al18 O90.98 S4 Cl.99 H5.96
compound: <missing>
pub_title: Marinellite, a new feldspathoid of the cancrinite-sodalite group
formula_title: <missing>
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compound: <missing>
pub_title: The crystal structure of wycheproofite, NaAlZr(PO4)2(OH)2.H2O
formula_title: <missing>
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formula: As4 Cu4.52 Co.27 Ni.15 O24.86 H19.72
compound: Jachymov, Czech Republic
formula_title: <missing>
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alpha: 85.44
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cell_volume: 528.081
crystal_density: 3.236
pub_title:
 Crystal structure of lindackerite, (Cu,Co,Ni)Cu4(AsO4)2(AsO3OH)2*9H2O
 from Jachymov, Czech Republic
 Sample: #MZKJ

atoms_sites:
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compound: Jachymov, Czech Republic
formula_title: <missing>
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cell_volume: 521.164
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pub_title:
 Crystal structre of lindackerite, (Cu,Co,Ni)Cu4(AsO4)2(AsO3OH)2*9H2O
 from Jachymov, Czech Republic
 Sample: #J688

atoms_sites:
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formula: Zn.954 Al1.97 S4 O38 H44
compound: <missing>
formula_title: <missing>
a: 6.1757
b: 24.262
c: 21.206
alpha: 90
beta: 100.436
gamma: 90
cell_volume: 3124.837
crystal_density: 1.905
atoms_aniso_label: "<missing>"
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pub_title:
 New crystal-chemical and structural data of dietrichite,
 ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group

atoms_sites:
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formula: (Ce.77 La.1 Nd.1 Pr.02 Ca.01) (As.71 P.29) O4
compound: Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden
formula_title: <missing>
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b: 7.129
c: 6.697
alpha: 90
beta: 104.46
gamma: 90
cell_volume: 320.331
crystal_density: 5.507
atoms_sites: ["CeREE", "LaREE", "NdREE", "PrREE", "CaREE", "AsX", "PX", "O1", "O2", "O3", "O4"]
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pub_title:
 Crystal chemistry of REEXO4 compounds (X = P, As, V).
 I. Paragenesis and crystal structure of phosphatian gasparite-(Ce)
 from the Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden

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formula: Ca2.52 Na.24 Fe1.36 Al3.05 Mg.5 Si6 O31.77 C.59 H18
compound: Camporrells-Estopanya area, Huesca, Spain
formula_title: <missing>
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b: 16.8820
c: 5.2251
alpha: 90
beta: 90
gamma: 120
cell_volume: 1289.653
crystal_density: 2.521
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pub_title:
 Structure determination of the blue mineral pigment aerinite from
 synchrotron powder diffraction data: The solution of an old riddle

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formula: Na3.565 Ca.435 Si3 Al3 O15.279 C.713 S.035 H2
compound: Cava Satom, Cameroon
pub_title: The crystal structure of a "disordered" cancrinite
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
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formula: K2 Sc F Si4 O10
compound: <missing>
formula_title: K2ScFSi4O10
a: 11.207
b: 11.207
c: 8.166
alpha: 90
beta: 90
gamma: 90
cell_volume: 1025.624
crystal_density: 2.684
atoms_sites: ["K", "Sc", "F1", "F2", "Si", "O3", "O4", "O5"]
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pub_title:
 The structural relation between the new synthetic silicate K2ScFSi4O10
 and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10

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formula: Fe.7 Sn.3 Al1.3 Mg3.7 B2 O10
compound: east of Verkhoyansk, Sakha-Yakutia, Russia
formula_title: <missing>
a: 5.3444
b: 3.0300
c: 10.506
alpha: 90
beta: 94.46
gamma: 90
cell_volume: 169.614
crystal_density: 3.733
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pub_title:
 Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from
 east of Verkhoyansk, Sakha-Yakutia, Russia

atoms_sites:
["Fe3+1", "Sn1", "Al1", "Fe2+1", "Al2", "Mg2", "Al3", "Mg3", "Mg4", "Fe2+4", "Mg5", "Fe2+5", "B", "O1", "O2", "O3", "O4", "O5"]

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formula: K Ca Cu5 As5 O22 H6
compound: Tsumeb, Namibia
formula_title: <missing>
a: 19.647
b: 10.087
c: 9.963
alpha: 90
beta: 90
gamma: 90
cell_volume: 1974.460
crystal_density: 3.800
atoms_occupancy: 0
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pub_title:
 Calcio-andyrobertsite-2O, KCaCu5(AsO4)4[AsO2(OH)2]*2H2O: its
 description, crystal structure and relation with calcio-andyrobertsite-1M
 Note: polytype 2O

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formula: Pb.6 Sr.3 (Y.48 Mn.34 Ce.12 U.06) Fe8 Ti12 O38
compound: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy
pub_title: Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy
formula_title: <missing>
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b: 9.186
c: 9.186
alpha: 68.82
beta: 68.82
gamma: 68.82
cell_volume: 649.784
crystal_density: 4.785
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formula: Na.94 K.09 Mg2.9 Fe.82 Al3.58 Ti.3 Ca1.95 Mn.02 Si5.4 O23.87 F.13 H1.87
compound: Kasuga-mura, Gifu Prefecture, central Japan
formula_title: <missing>
a: 9.869
b: 17.933
c: 5.322
alpha: 90
beta: 105.29
gamma: 90
cell_volume: 908.552
crystal_density: 3.178
pub_title:
 Magnesiosadanagaite, a new member of the amphibole group
 from Kasuga-mura, Gifu Prefecture, central Japan
 Sample: GSJ M35151-1

atoms_sites:
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formula: Na.74 K.27 Mg3.07 Fe.78 Al3.4 Ti.29 Ca1.97 Mn.02 Si5.46 O23.9 F.07 Cl.03 H1.9
compound: Kasuga-mura, Gifu Prefecture, central Japan
formula_title: <missing>
a: 9.906
b: 17.971
c: 5.3190
alpha: 90
beta: 105.48
gamma: 90
cell_volume: 912.542
crystal_density: 3.172
pub_title:
 Magnesiosadanagaite, a new member of the amphibole group
 from Kasuga-mura, Gifu Prefecture, central Japan
 Sample: GSJ M35151-2

atoms_sites:
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formula: (Sn1.736 Ti.264) Al14.784 Li.576 Zn2.102 Fe1.97 Mn.034 Mg.258 O32 H2
compound: Egbe District, Kabba Province, Nigeria
formula_title: <missing>
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gamma: 120
cell_volume: 1568.807
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pub_title:
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 Note: sample #N17471
 Note: X-coordinate of O7 adjusted to make the four M8-O7 bonds equivalent

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compound: abandoned tin mine Tsomtaub, between Omaruru and Uis, Namibia
pub_title: Lithium in nigerite-group minerals
formula_title: <missing>
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formula: Na.457 Ca.246 K.012 Mg2.55 Al5.37 V.804 Cr.3 Ti.024 Si5.952 B3 O30.919 F.081 H3.536
compound: Olkhon (Lake Baikal), Siberia
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline sample TM507c
formula_title: <missing>
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compound: Olkhon (Lake Baikal), Siberia
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM507e
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formula: Na.751 Ca.077 K.004 Al6.228 Mg2.085 Fe.6 Ti.084 Zn.009 V.003 Mn.003 Si5.988 B3 O30.996 F.004 H3.632
compound: Beresov Mine, Siberia
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235a
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compound: Beresov Mine, Siberia
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235b
formula_title: <missing>
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c: 7.2050
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compound: Haddam, Connecticut, U.S.A.
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112a
formula_title: <missing>
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b: 15.9633
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formula:
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compound: Haddam, Connecticut, U.S.A.
pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112c
formula_title: <missing>
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pub_title: Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9914b
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
formula:
Na.888 Ca.028 K.022 Cr3.15 Mg2.169 Al3.354 V.279 Zn.015 Ti.003 Fe.036 Si5.988 B3 O30.741 F.259 H3.034

atoms_sites:
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formula: Ca2 (Zn.86 Mg.14) As2 O10 H4
compound: Tsumeb, Namibia
formula_title: <missing>
a: 5.827
b: 12.899
c: 5.646
alpha: 90
beta: 107.69
gamma: 90
cell_volume: 404.301
crystal_density: 3.727
atoms_sites: ["CaA", "ZnM", "MgM", "AsX", "O1", "O2", "O3", "O4", "O5", "H1", "H2"]
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atoms_aniso_label: ["CaA", "ZnM", "MgM", "AsX", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 The crystal structures of zincroselite and gaitite: Two natural
 polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia

qdat:
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formula: Ca2 (Zn.58 Mg.42) As2 O10 H4
compound: Tsumeb, Namibia
formula_title: <missing>
a: 5.899
b: 6.978
c: 5.575
alpha: 97.41
beta: 109.08
gamma: 108.09
cell_volume: 199.258
crystal_density: 3.685
atoms_sites: ["CaA", "ZnM", "MgM", "AsX", "O1", "O2", "O3", "O4", "O5", "H1", "H2"]
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atoms_aniso_label: ["CaA", "ZnM", "MgM", "AsX", "O1", "O2", "O3", "O4", "O5"]
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atoms_aniso_u23: 0CAAALAdAACwHQAAYCIAAJBlAABw/v//wEQAAOAuAABQLQAA
pub_title:
 The crystal structures of zincroselite and gaitite: Two natural
 polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia
 Note: c cell edge corrected by authors

qdat:
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formula: Cu2 B O6 H5
compound: Tachgagalt mine, Morocco
formula_title: <missing>
a: 9.455
b: 5.866
c: 8.668
alpha: 90
beta: 90
gamma: 90
cell_volume: 480.754
crystal_density: 3.301
atoms_sites: ["Cu", "B", "O1", "O2", "O3", "O4", "O5", "H1", "H2", "H3", "H5"]
atoms_x: EDEPAGDqAACQeQUAUCYWAIAkFQAwoBYAgFAWAEAZAQCAHxoA4IwaAABwFwA=
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atoms_u_iso: kLAAAIA+AACgjAAAoIwAAGBtAADgqwAAIE4AAEANAwBADQMAQA0DAEANAwA=
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atoms_aniso_u33: IBYBAA==
atoms_aniso_u12: IAMAAA==
atoms_aniso_u13: MK3//w==
atoms_aniso_u23: QAYAAA==
pub_title:
 Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the
 Tachgagalt mine, Morocco: Description and crystal structure

qdat:
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formula: Na1.2 K.15 U6 Se4 O38 H22
compound: Repete mine, San Juan County, Utah, USA
formula_title: <missing>
a: 6.981
b: 7.646
c: 17.249
alpha: 90
beta: 90
gamma: 90.039
cell_volume: 920.695
crystal_density: 4.342
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:
 Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral
 from Repete mine, San Juan County, Utah, U.S.A.

atoms_sites:
["Na", "K", "U1", "U2", "U3", "U4", "Se1", "Se2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "Wat1", "H1", "Wat2", "H2", "Wat3", "H3", "Wat4", "H4", "Wat5", "H5", "Wat6", "H6"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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formula: K.05 (Fe2.44 Mg2.56) Si12 O30
compound: <missing>
formula_title: <missing>
a: 10.050
b: 10.050
c: 14.338
alpha: 90
beta: 90
gamma: 120
cell_volume: 1254.155
crystal_density: 2.694
atoms_sites: ["KC", "FeA", "MgA", "Mg2", "Fe2", "Si1", "O1", "O2", "O3"]
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atoms_aniso_label: ["FeA", "MgA", "Mg2", "Fe2", "Si1", "O1", "O2", "O3"]
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pub_title:
 Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
 mineral data and crystal structure
 Sample: tr1
 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3

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formula: K.12 (Fe2.47 Mg2.53) Si12 O30
compound: <missing>
formula_title: <missing>
a: 10.065
b: 10.065
c: 14.341
alpha: 90
beta: 90
gamma: 120
cell_volume: 1258.165
crystal_density: 2.695
atoms_sites: ["KC", "FeA", "MgA", "Mg2", "Fe2", "Si1", "O1", "O2", "O3"]
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atoms_u_iso: 0
atoms_aniso_label: ["KC", "FeA", "MgA", "Mg2", "Fe2", "Si1", "O1", "O2", "O3"]
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pub_title:
 Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
 mineral data and crystal structure
 Sample: tr2
 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3

qdat:
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formula: Ca.916 Na.066 Mg.926 Ti.086 Si1.96 B.018 O6
compound: <missing>
pub_title: Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di64
formula_title: <missing>
a: 9.748
b: 8.926
c: 5.264
alpha: 90
beta: 105.89
gamma: 90
cell_volume: 440.523
crystal_density: 3.258
atoms_sites: ["Ca2", "Na2", "Mg1", "Ti3+1", "Si", "B", "Ti4+", "O1", "O2", "O3"]
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qdat:
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formula: Ca.82 Na.168 Mg.846 Ti.272 Si1.882 B.022 O6
compound: <missing>
pub_title: Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di80
formula_title: <missing>
a: 9.756
b: 8.929
c: 5.269
alpha: 90
beta: 106.06
gamma: 90
cell_volume: 441.076
crystal_density: 3.304
atoms_sites: ["Ca2", "Na2", "Mg1", "Ti4+1", "Ti3+1", "Si", "Ti4+", "B", "O1", "O2", "O3"]
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atoms_aniso_u22: 0
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qdat:
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formula: Ca.872 Na.118 Mg.906 Ti.138 Si1.94 B.028 O6
compound: <missing>
pub_title: Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di81a
formula_title: <missing>
a: 9.747
b: 8.922
c: 5.278
alpha: 90
beta: 106.10
gamma: 90
cell_volume: 440.987
crystal_density: 3.270
atoms_sites: ["Ca2", "Na2", "Mg1", "Ti3+1", "Ti4+1", "Si", "Ti4+", "B", "O1", "O2", "O3"]
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qdat:
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formula: Ca.784 Na.19 Mg.85 Ti.254 Si1.892 B.044 O6
compound: <missing>
pub_title: Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di72
formula_title: <missing>
a: 9.748
b: 8.926
c: 5.281
alpha: 90
beta: 106.09
gamma: 90
cell_volume: 441.503
crystal_density: 3.283
atoms_sites: ["Ca2", "Na2", "Mg1", "Ti3+1", "Ti4+1", "Si", "Ti4+", "B", "O1", "O2", "O3"]
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
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qdat:
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formula: Ca.836 Na.14 Mg.892 Ti.206 Si1.888 B.024 O6
compound: <missing>
pub_title: Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides Sample: Di73
formula_title: <missing>
a: 9.765
b: 8.929
c: 5.284
alpha: 90
beta: 106.19
gamma: 90
cell_volume: 442.450
crystal_density: 3.266
atoms_sites: ["Ca2", "Na2", "Mg1", "Ti3+1", "Ti4+1", "Si", "Ti4+", "B", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAACQhhEAkIYRAJCGEQBADgcAUA0WAGBsFQA=
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qdat:
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formula: Mg1.08 Al.82 Fe.12 K.02 Si3.96 O15.5 D5 H5
compound: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico
formula_title: <missing>
a: 13.337
b: 17.879
c: 5.264
alpha: 90
beta: 105.27
gamma: 90
cell_volume: 1210.898
crystal_density: 2.360
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure refinement of palygorskite from neutron powder diffraction
 Note: Occupancies created to match reported formula

atoms_sites:
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formula: Mg1.08 Al.82 Fe.12 K.02 Si3.96 O15.5 D5.02 H5
compound: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico
formula_title: <missing>
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c: 5.236
alpha: 90
beta: 90
gamma: 90
cell_volume: 1186.017
crystal_density: 2.409
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure refinement of palygorskite from neutron powder diffraction
 Note: Occupancies created to match reported formula

atoms_sites:
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formula: (K.9 Na.1) (As1.1 Si.9) (Al1.9 Zn.1) O8
compound: <missing>
pub_title: Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], the first arsenate of the feldspar group
formula_title: <missing>
a: 8.772
b: 13.370
c: 14.690
alpha: 90
beta: 115.944
gamma: 90
cell_volume: 1549.240
crystal_density: 2.838
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atoms_sites:
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formula: Na1.95 K.229 (Si2.75 Al2.25) O13.021 H6.04
compound: <missing>
pub_title: The crystal structure of paranatrolite
formula_title: <missing>
a: 18.971
b: 19.204
c: 6.5952
alpha: 90
beta: 91.601
gamma: 90
cell_volume: 2401.819
crystal_density: 2.246
atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Na.84 Ca.03 K.01 Al7.68 Mn.93 Li.54 Fe.06 Ti.03 Si5.76 B3 F.54 O30.46 H3.37
compound: Eibenstein an der Thaya, Bohemian massif, Lower Austria
formula_title: <missing>
a: 15.9158
b: 15.9158
c: 7.1201
alpha: 90
beta: 90
gamma: 120
cell_volume: 1561.974
crystal_density: 3.135
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Mn-rich tourmaline and fluorapatite in a Variscan pegmatite
 from Eibenstein an der Thaya, Bohemian massif, Lower Austria

atoms_sites:
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formula: (Na3.52 Ca.48) Cu11 As8 O46.5 Cl2.5 H29
compound: <missing>
pub_title: Crystal structure of mahnertite
formula_title: <missing>
a: 10.037
b: 10.037
c: 23.739
alpha: 90
beta: 90
gamma: 90
cell_volume: 2391.499
crystal_density: 3.139
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atoms_sites:
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formula: Na.96 Ca.02 Mg2.37 Al5.91 Fe.63 Ti.06 Si5.82 B3.18 O30.93 F.07 H3.93
compound: Syros, Greece
formula_title: <missing>
a: 15.9443
b: 15.9443
c: 7.2094
alpha: 90
beta: 90
gamma: 120
cell_volume: 1587.233
crystal_density: 3.063
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron,
 associated with omphacite, from Syros, Greece: chemistry and structure
 Sample: SY309B

atoms_sites:
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formula: Ca B6 O14 H8
compound: Kopaonik Mt, central Serbia
formula_title: <missing>
a: 14.580
b: 8.0240
c: 9.8486
alpha: 90
beta: 111.801
gamma: 90
cell_volume: 1069.782
crystal_density: 2.092
atoms_occupancy: 0
pub_title:
 Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia)
 Note: Ca analogue of tunellite

atoms_sites:
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formula: Cu.68 Ag.26 Pb10.44 Sb11.56 S27.5 Cl.5 O.5
compound: Tuscany, Italy
formula_title: <missing>
a: 55.824
b: 4.0892
c: 24.128
alpha: 90
beta: 113.14
gamma: 90
cell_volume: 5064.712
crystal_density: 5.966
pub_title:
 Lead-antimony sulfosalts from Tuscany (Italy). VII. Crystal structure of
 pellouxite, ~ (Cu,Ag)2Pb21Sb23S55ClO, an expanded monoclinic derivative
 of Ba12Bi24S48 hexagonal sub-type (zinkenite group)

atoms_sites:
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formula: Ca3.69 Zr.14 Na.17 Si2 O7 F2
compound: Pian di Celle, Umbria, Italy
formula_title: <missing>
a: 10.919
b: 10.485
c: 7.485
alpha: 90
beta: 109.55
gamma: 90
cell_volume: 807.524
crystal_density: 3.049
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pub_title:
 Chemical and structural study of the Zr,Ti-disilicates in the venanzite
 from Pian di Celle, Umbria, Italy

atoms_sites:
["Ca1", "Zr1", "Ca2", "Ca3", "Ca4", "Na4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "F1", "F2"]

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formula: Ca5.66 Zr.28 Na1.06 Ti.98 Si4 O14 F4
compound: Pian di Celle, Umbria, Italy
formula_title: <missing>
a: 9.636
b: 7.341
c: 5.737
alpha: 89.94
beta: 100.74
gamma: 101.06
cell_volume: 391.055
crystal_density: 3.125
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Chemical and structural study of the Zr,Ti-disilicates in the venanzite
 from Pian di Celle, Umbria, Italy

atoms_sites:
["Ca1", "Zr1", "Ca2", "Ca3", "Na3", "Ca4", "Na4", "Ti5", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "F1", "F2"]

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formula: Zr2.3 Mn1.3 Ti.46 Na3.56 Ca.38 Si4 O16 F2
compound: Langesundsfjord district, Norway
formula_title: <missing>
a: 5.608
b: 7.139
c: 18.575
alpha: 90
beta: 102.60
gamma: 90
cell_volume: 725.750
crystal_density: 3.691
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:
 Grenmarite, a new member of the gotzenite-seidozerite-rosenbuschite
 group from the Langesundsfjord district, Norway: definition and crystal structure

atoms_sites:
["Zr1", "Mn1", "Zr2", "Ti2", "Mn3", "Na3", "Na4", "Mn4", "Na5", "Ca5", "Na6", "Ca6", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "F"]

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formula: O34.56 K1.44 Mn1.013 (Nb2.508 Ti1.492) Si8 H17.12
compound: Gjerdingselva, Lunner, Oppland, Oslo Region, Norway
formula_title: <missing>
a: 14.563
b: 13.961
c: 7.851
alpha: 90
beta: 117.62
gamma: 90
cell_volume: 1414.316
crystal_density: 2.844
pub_title:
 Gjerdingenite-Mn from Norway - a new mineral species
 in the labuntsovite group: descriptive data and crystal structure

atoms_sites:
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formula: Fe (O6 As) H4
compound: <missing>
pub_title: Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4
formula_title: <missing>
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b: 8.9232
c: 9.9296
alpha: 90
beta: 90
gamma: 120
cell_volume: 684.705
crystal_density: 3.358
atoms_sites: ["Fe1", "Fe2", "Wat", "As1", "O1", "O2"]
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qdat:
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formula: Ce3.078 Ca.922 Mg1.558 Fe.514 Al1.928 Si5 O21.539 F.461 H2
compound: Vastmanland, Sweden
formula_title: <missing>
a: 8.939
b: 5.706
c: 15.855
alpha: 90
beta: 94.58
gamma: 90
cell_volume: 806.117
crystal_density: 4.460
pub_title:
 Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral
 from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce)

atoms_sites:
["Ce3+1", "Ce3+2", "Ce3+3", "Ca", "Ce3+", "MgM1", "FeM1", "MgM3", "FeM3", "AlM2", "FeM2", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O5", "O6", "O7", "O8", "O9", "O11", "O13", "O14", "O15", "O16", "O17", "O-H1", "O-H2", "O", "F"]

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formula: Ba1.098 Ca.784 K.82 Na.1 (Si13.5 Al4.5) O46.742 H21.484
compound: Northern Ravnas silver prospect, southern Vinoren, Flesberg community,
pub_title: Heulandite-Ba, a new zeolite species from Norway Buskerud county, Norway (Kongsberg ore district)
formula_title: <missing>
a: 17.738
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formula: Ca1.59 Mn.167 O2.187
compound: Friesach, Carinthia, Austria
pub_title: Rancieite crystals from Friesach, Carinthia, Austria Note: Birnessite group
formula_title: <missing>
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b: 2.845
c: 7.485
alpha: 90
beta: 90
gamma: 120
cell_volume: 52.467
crystal_density: 3.414
atoms_sites: ["Ca", "Mn4+", "O1", "O2", "O3"]
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formula: Al6.64 Mg.09 Ti.07 Fe.04 Si2.84 B O17.979 F.021 H.81
compound: Gfohl unit, Lower Austria
formula_title: <missing>
a: 4.6900
b: 11.7875
c: 20.1823
alpha: 90
beta: 90
gamma: 90
cell_volume: 1115.746
crystal_density: 3.372
atoms_aniso_label: "<missing>"
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pub_title:
 Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure,
 and infra-red spectroscopy
 Sample: DUM1

atoms_sites:
["AlM1", "MgM1", "TiM1", "AlM2", "TiM2", "AlM3", "FeM3", "AlM4", "SiT1", "AlT1", "SiT2", "AlT2", "B", "O1", "O2", "O-H2", "F2", "O3", "O4", "O5", "O6", "O7", "O-H7", "F7", "O8", "O9", "O10", "O11"]

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formula: Al6.61 Mg.12 Ti.09 Fe.02 Si2.83 B O17.991 F.009 H.849
compound: Gfohl unit, Lower Austria
formula_title: <missing>
a: 4.6948
b: 11.8037
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alpha: 90
beta: 90
gamma: 90
cell_volume: 1119.991
crystal_density: 3.356
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure,
 and infra-red spectroscopy
 Sample: DUM2

atoms_sites:
["AlM1", "MgM1", "TiM1", "AlM2", "TiM2", "FeM2", "AlM3", "TiM3", "AlM4", "SiT1", "AlT1", "SiT2", "AlT2", "B", "O1", "O2", "O-H2", "F2", "O3", "O4", "O5", "O6", "O7", "O-H7", "F7", "O8", "O9", "O10", "O11"]

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formula: (Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6
compound: <missing>
formula_title: <missing>
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b: 8.834
c: 5.263
alpha: 90
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gamma: 90
cell_volume: 430.630
crystal_density: 3.422
atoms_sites: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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pub_title:
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 25 C, 2-theta <= 110
 Note: Sample is exactly intermediate between diopside and kosmochlor

qdat:
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formula: (Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6
compound: <missing>
formula_title: <missing>
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b: 8.833
c: 5.262
alpha: 90
beta: 106.5281
gamma: 90
cell_volume: 430.259
crystal_density: 3.425
atoms_sites: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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pub_title:
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 25 C, 2-theta <= 50
 Note: Sample is exactly intermediate between diopside and kosmochlor
 Note: a cell edge corrected

qdat:
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formula: (Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6
compound: <missing>
formula_title: <missing>
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b: 8.850
c: 5.267
alpha: 90
beta: 106.53
gamma: 90
cell_volume: 431.940
crystal_density: 3.412
atoms_sites: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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pub_title:
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 200 C, 2-theta <= 50
 Note: Sample is exactly intermediate between diopside and kosmochlor

qdat:
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formula: (Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.682
b: 8.874
c: 5.274
alpha: 90
beta: 106.53
gamma: 90
cell_volume: 434.404
crystal_density: 3.392
atoms_sites: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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pub_title:
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 400 C, 2-theta <= 50
 Note: Sample is exactly intermediate between diopside and kosmochlor

qdat:
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formula: (Na.5 Ca.5) (Cr.5 Mg.5) Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.697
b: 8.902
c: 5.282
alpha: 90
beta: 106.54
gamma: 90
cell_volume: 437.090
crystal_density: 3.371
atoms_sites: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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atoms_u_iso: gOcBAIDnAQDQ6AAA0OgAAIDUAABAGQEAoIYBAOAoAQA=
atoms_aniso_label: ["NaM2", "CaM2", "CrM1", "MgM1", "Si", "O1", "O2", "O3"]
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pub_title:
 High temperature single crystal investigation in a clinopyroxene of
 composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6
 Sample: T = 620 C, 2-theta <= 50
 Note: Sample is exactly intermediate between diopside and kosmochlor

qdat:
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formula: (Na1.92 Mg.06 Ca.02) Al2 Si3 O11.84 D2.96
compound: <missing>
formula_title: <missing>
a: 18.2126
b: 18.5695
c: 6.5741
alpha: 90
beta: 90
gamma: 90
cell_volume: 2223.353
crystal_density: 2.271
atoms_sites: ["Na", "Mg", "Ca", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "Ow6", "D61", "D62", "Ow7*"]
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atoms_aniso_u23: 0
pub_title:
 Structural evolution of natrolite during over-hydration: a high-pressure
 neutron diffraction study
 Note: Zeolite
 Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa

qdat:
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formula: (Na1.92 Mg.06 Ca.02) Al2 Si3 O13.5 D6.99
compound: <missing>
formula_title: <missing>
a: 18.8971
b: 19.3142
c: 6.4833
alpha: 90
beta: 91.5835
gamma: 90
cell_volume: 2365.386
crystal_density: 2.329
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atoms_aniso_u23: 0
pub_title:
 Structural evolution of natrolite during over-hydration: a high-pressure
 neutron diffraction study
 Note: Zeolite
 Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa

atoms_sites:
["Na1", "Mg1", "Ca1", "Na10", "Mg10", "Ca10", "Al1", "Al10", "Si1", "Si2", "Si20", "O1", "O10", "O2", "O20", "O3", "O30", "O4", "O40", "O5", "O50", "Ow6", "Ow60", "Ow7", "Ow70", "D61", "D62", "D601", "D602", "D603", "D604", "D71", "D72", "D73", "D74", "D701", "D702"]

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formula: Na Fe2 (Mg.656 Mn.344) As3 O13 H2
compound: Volcanic complex of Erciyes, Kiranardi, Turkey
formula_title: <missing>
a: 12.181
b: 12.807
c: 6.6391
alpha: 90
beta: 112.441
gamma: 90
cell_volume: 957.282
crystal_density: 4.193
atoms_sites: ["Na", "Fe3+", "Mg", "Mn", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "Wat"]
atoms_x: AAAAANAjEQAAAAAAAAAAAAAAAADgzw4AMBYUAOCFFwBwiQYAIAgUAODBDQBA2wIAINo8AA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Yazganite, NaFe3+2(Mg,Mn)(AsO4)3*H2O, a new mineral:
 its description and crystal structure
 Note: variant of the johillerite structure, alluaudite group

qdat:
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formula: Ca3 (Mn1.006 Al.994) Si1.95 O12 H4
compound: Wessels Mine, South Africa
formula_title: <missing>
a: 12.337
b: 12.337
c: 11.930
alpha: 90
beta: 90
gamma: 90
cell_volume: 1815.765
crystal_density: 3.315
atoms_sites: ["CaA1", "CaA2", "Mn3+B", "AlB", "Si1", "Si2", "O1", "O2", "O3", "H"]
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pub_title:
 Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet
 from Wessels Mine, South Africa

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compound: Varutrask, Vasterbotten, Sweden
pub_title: Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample SBT
formula_title: <missing>
a: 9.029
b: 5.203
c: 20.201
alpha: 90
beta: 99.35
gamma: 90
cell_volume: 936.392
crystal_density: 2.834
formula:
K.874 Rb.073 Na.029 Cs.02 Ca.002 Li1.758 Al1.656 Fe.018 Mn.014 Mg.006 Ti.002 Si3.54 O10.278 (F1.722 H.278)

atoms_sites:
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formula: K.872 Na.073 Ba.002 Li1.522 Al2.202 Mn.48 Fe.026 Ti.006 Cr.002 Si3.188 O10.46 (F1.54 H.46)
compound: Chedeville, France
pub_title: Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 59a
formula_title: <missing>
a: 9.056
b: 5.216
c: 20.282
alpha: 90
beta: 99.64
gamma: 90
cell_volume: 944.514
crystal_density: 2.960
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qdat:
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formula: K.903 Na.045 Ca.002 Li1.572 Al2.066 Mn.044 Fe.008 Ti.004 Si3.292 O10.412 (F1.588 H.412)
compound: Chedeville, France
pub_title: Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 132
formula_title: <missing>
a: 9.033
b: 5.210
c: 20.271
alpha: 90
beta: 99.71
gamma: 90
cell_volume: 940.326
crystal_density: 2.796
atoms_sites:
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qdat:
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formula: K.012 (Mn1.74 Mg.26) Al3.02 V.98 Si4 O20 H8
compound: Molinello mine, northern Apennines, Italy
formula_title: <missing>
a: 13.840
b: 20.452
c: 5.143
alpha: 90
beta: 90
gamma: 90
cell_volume: 1455.755
crystal_density: 3.076
atoms_sites: ["K", "Mn", "Mg", "Al1", "V1", "Al2", "Si", "O1", "O2", "O3", "OA", "OB", "HA", "HB"]
atoms_x: AAAAAAAAAAAAAAAAMGULADBlCwAAAAAAsNULAOB8DAAg/gQAEBgPACAqBgAQKAQA4Fs3AGA9CAA=
atoms_y: wMYtAIBeNQCAXjUAwMYtAMDGLQAAsToAwK81ACDXMADw7DYAIJQ3ACBUMQCwADsAwDExAKAkOwA=
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atoms_u_iso: +MUAALh0AAC4dAAAaJwAAGicAADgagAAAF8AAFiYAADIbgAAiIYAAOjLAADYcgAAABJ6AAASegA=
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:
 Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral
 from the Molinello mine, northern Apennines, Italy
 Note: sample VrC

qdat:
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formula: K.168 (Mn1.84 Mg.16) (V1.98 Al2.02) Si4 O20 H8
compound: Molinello mine, northern Apennines, Italy
formula_title: <missing>
a: 13.830
b: 20.681
c: 5.188
alpha: 90
beta: 90
gamma: 90
cell_volume: 1483.863
crystal_density: 3.166
atoms_sites: ["K", "Mn", "Mg", "V1", "Al1", "Al2", "V2", "Si", "O1", "O2", "O3", "OA", "OB", "HA", "HB"]
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pub_title:
 Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral
 from the Molinello mine, northern Apennines, Italy
 Note: sample VC

qdat:
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formula: (Cu Al2) O4
compound: <missing>
formula_title: CuAl2O4
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b: 8.0778
c: 8.0778
alpha: 90
beta: 90
gamma: 90
cell_volume: 527.083
crystal_density: 4.575
atoms_sites: ["CuA", "AlA", "AlB", "CuB", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CuAl2O4 spinel
 Sample: SM1(900) was annealed at T = 900 C for t = 132 hrs, then quenched

qdat:
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formula: (Cu Al2) O4
compound: <missing>
formula_title: CuAl2O4
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b: 8.0812
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alpha: 90
beta: 90
gamma: 90
cell_volume: 527.749
crystal_density: 4.569
atoms_sites: ["CuA", "AlA", "AlB", "CuB", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CuAl2O4 spinel
 Sample: SM3(600) was annealed at T = 600 C for t = 26 hrs, then quenched

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formula: (Cu Al2) O4
compound: <missing>
pub_title: Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 700 C
formula_title: CuAl2O4
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b: 8.127
c: 8.127
alpha: 90
beta: 90
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cell_volume: 536.773
crystal_density: 4.492
atoms_sites: ["CuA", "AlA", "AlB", "CuB", "O"]
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formula: (Cu Al2) O4
compound: <missing>
pub_title: Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 900 C
formula_title: CuAl2O4
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b: 8.144
c: 8.144
alpha: 90
beta: 90
gamma: 90
cell_volume: 540.149
crystal_density: 4.464
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formula: Ba.035 K.964 Al1.336 Ti.123 Cr.003 Fe.606 Mg2.226 Mn.009 Si2.7 O12
compound: Colli Albani volcano, central Italy
formula_title: <missing>
a: 5.385
b: 9.202
c: 10.181
alpha: 90
beta: 100.13
gamma: 90
cell_volume: 496.632
crystal_density: 2.948
pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: CC

atoms_sites:
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compound: Colli Albani volcano, central Italy
formula_title: <missing>
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cell_volume: 493.143
crystal_density: 2.936
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: 5D

atoms_sites:
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formula: Ba.081 K.931 Al1.596 Ti.045 Fe.3 Mg2.43 Mn.009 Si2.62 O12
compound: Colli Albani volcano, central Italy
formula_title: <missing>
a: 5.3231
b: 9.224
c: 10.241
alpha: 90
beta: 100.02
gamma: 90
cell_volume: 495.166
crystal_density: 2.915
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: CA1

atoms_sites:
["BaA", "KA", "AlM1", "TiM1", "Fe2+M1", "MgM1", "MnM1", "AlM2", "TiM2", "Fe2+M2", "MgM2", "MnM2", "SiT", "AlT", "O1", "O2", "O3", "O4"]

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formula: Ca.002 Ba.099 K.938 Al1.616 Ti.012 Cr.003 Fe.219 Mg2.409 Mn.006 Si2.708 O12
compound: Colli Albani volcano, central Italy
formula_title: <missing>
a: 5.318
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alpha: 90
beta: 99.96
gamma: 90
cell_volume: 494.524
crystal_density: 2.914
pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: CA2

atoms_sites:
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compound: Colli Albani volcano, central Italy
formula_title: <missing>
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b: 9.217
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alpha: 90
beta: 99.98
gamma: 90
cell_volume: 494.985
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
 (Colli Albani volcano, central Italy)
 Sample: 6B

atoms_sites:
["BaA", "KA", "AlM1", "TiM1", "Fe2+M1", "MgM1", "AlM2", "TiM2", "Fe2+M2", "MgM2", "SiT", "AlT", "O1", "O2", "O3", "O4"]

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formula: Ba.023 K.985 Al1.287 Ti.138 Fe.513 Mg2.331 Mn.003 Si2.728 O12
compound: Colli Albani volcano, central Italy
formula_title: <missing>
a: 5.3318
b: 9.227
c: 10.244
alpha: 90
beta: 100.005
gamma: 90
cell_volume: 496.305
crystal_density: 2.925
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
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formula_title: <missing>
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
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 Sample: AA4

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compound: Colli Albani volcano, central Italy
formula_title: <missing>
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pub_title:
 Crystal chemisty of ferroan phlogopites from the Albano maar lake
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 Sample: 8A

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formula: La3 Mn22 Fe7 Cu Si12 O72
compound: Le Coreux, Salmchateau, Belgium
pub_title: Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium
formula_title: <missing>
a: 11.525
b: 11.525
c: 33.347
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formula: Ce La.56 Nd.24 Pr.08 Sm.02 Ca.06 Na.02 (Fe.67 Mn.11 Ti.01 Mg.21) C Si2 (O9.8 F.2)
compound: Biraia deposit, Irkutsk district, Siberia, Russia
pub_title: Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia with a novel structure type
formula_title: <missing>
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b: 6.744
c: 18.561
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formula: Fe3.5 Si.5 O5
compound: <missing>
pub_title: Crystal structure and cation distribution in Fe7SiO10 ("Iscorite")
formula_title: Fe7SiO10
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formula: Na2.119 Mn6.95 P6 O24
compound: <missing>
formula_title: Na1.265Mn3.475(PO4)3
a: 6.5291
b: 12.653
c: 10.952
alpha: 90
beta: 97.18
gamma: 90
cell_volume: 897.679
crystal_density: 3.701
pub_title:
 The crystal structure of a new synthetic member in the
 wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3
 Note: Uiso's for Mn2 and Mn3 corrected by authors

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formula: Mn.366 Na.501 Fe3.996 Al1.846 P6 O24
compound: Rubindi pegmatite, Rwanda
pub_title: Ferrorosemaryite, NaFe2+Fe3+Al(PO4)3, a new phosphate mineral from the Rubindi pegmatite, Rwanda
formula_title: <missing>
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formula: Na2.64 K.7 Ca.616 Si3 Al3 O13.986 S.384 Cl.47 C.15
compound: Mt. Vesuvio, Italy
pub_title: Crystal chemical and structural characterization of an unusual CO3-bearing sodalite-group mineral
formula_title: <missing>
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b: 9.0352
c: 9.0352
alpha: 90
beta: 90
gamma: 90
cell_volume: 737.587
crystal_density: 2.398
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formula: Na3 Cs Co3 P3 O13.226 H1.226
compound: Synthetic
pub_title: Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: CoPO4-CAN
formula_title: Na6Cs2[Co6P6O24](OH)2*1.4H2O
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b: 12.8514
c: 5.0468
alpha: 90
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gamma: 120
cell_volume: 721.851
crystal_density: 3.149
atoms_sites: ["Na", "Cs", "Co", "P", "O1", "O2", "O3", "O4", "O-H5a", "O-H5b", "O-H6a", "O-H6b"]
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formula: Na3 Cs Zn3 P3 O12.951 H.951
compound: Synthetic
pub_title: Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: ZnPO4-CAN
formula_title: Na6Cs2[Co6P6O24](OH)2*H2O
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b: 12.794
c: 5.066
alpha: 90
beta: 90
gamma: 120
cell_volume: 718.139
crystal_density: 3.233
atoms_sites: ["Na", "Cs", "Zn", "P", "O1", "O2", "O3", "O4", "O-H5a", "O-H5b", "O-H6a"]
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formula: Na17.826 Ca4.26 K4.59 Al21 Si21 S5.366 O111.512 Cl.24 F.078 H3.024
compound: Latera Caldera, Farnese, Viterbo Province, Italy
formula_title: <missing>
a: 12.8784
b: 12.8784
c: 37.0078
alpha: 90
beta: 90
gamma: 120
cell_volume: 5315.544
crystal_density: 2.428
pub_title:
 Farneseite, a new mineral of the cancrinite - sodalite group
 with a 14-layer stacking sequence: occurence and crystal structure

atoms_sites:
["Na1A", "Ca1A", "Na1B", "Ca1B", "Na1C", "Ca1C", "Na2A", "Ca2A", "Na2B", "Ca2B", "Na3A", "Ca3A", "Na3B", "Ca3B", "Na3C", "Ca3C", "Na4A", "Na4B", "Na5A", "Ca5A", "Na5B", "Ca5B", "Na6", "Ca6", "K", "NaK", "CaK", "Ca", "Na", "Al1", "Al2", "Al3", "Al4", "Si1", "Si2", "Si3", "Si4", "S1", "S2", "S3", "S4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O30", "O31", "O32", "O33", "O34", "O35", "O36", "Cl", "S", "F", "Wat1", "Wat2"]

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atoms_y:

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formula: Na1.83 Ca.17 Mn Fe2 P3 O12
compound: Hagendorf, Bavaria, Germany
formula_title: <missing>
a: 11.9492
b: 12.5548
c: 6.4966
alpha: 90
beta: 114.816
gamma: 90
cell_volume: 884.623
crystal_density: 3.757
atoms_sites: ["NaA1", "CaA1", "NaA2*", "MnM1", "FeM2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany):
 Crystal structure determination and 57Fe Mossbauer spectroscopy
 Note: alluaudite structure
 Sample: T = 100 K

qdat:
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formula: Na1.83 Ca.17 Mn Fe2 P3 O12
compound: Hagendorf, Bavaria, Germany
formula_title: <missing>
a: 11.9721
b: 12.5988
c: 6.5029
alpha: 90
beta: 114.841
gamma: 90
cell_volume: 890.107
crystal_density: 3.734
atoms_sites: ["NaA1", "CaA1", "NaA2*", "MnM1", "FeM2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany):
 Crystal structure determination and 57Fe Mossbauer spectroscopy
 Note: alluaudite structure
 Sample: T = 298 K

qdat:
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formula: Na.84 Ca.32 Fe2.48 Al.52 P3 O12
compound: Buranga, Rwanda
formula_title: <missing>
a: 11.9941
b: 12.5256
c: 6.3973
alpha: 90
beta: 114.257
gamma: 90
cell_volume: 876.235
crystal_density: 3.560
atoms_sites: ["NaA1", "CaA1", "NaA2*", "FeM1", "FeM2", "AlM2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany):
 Crystal structure determination and 57Fe Mossbauer spectroscopy
 Sample: T = 298 K

qdat:
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formula: K Al C O6 H4
compound: <missing>
formula_title: KAl(CO3)(OH)2*H2O
a: 8.3312
b: 11.2670
c: 5.661
alpha: 90
beta: 90
gamma: 90
cell_volume: 531.385
crystal_density: 2.226
atoms_sites: ["K", "Al", "C", "O3", "O4", "O5", "O-H1", "O-H2", "Wat6"]
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pub_title:
 Synthesis and crystal structure determination of hydrated
 potassium dawsonite from powder diffraction data

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formula: Fe1.1 Mn.81 P O5
compound: Okatjimukuju, Karibib, Namibia
formula_title: <missing>
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b: 6.328
c: 9.983
alpha: 90
beta: 105.81
gamma: 90
cell_volume: 719.363
crystal_density: 4.005
atoms_sites: ["Fe1", "Mn1", "Fe2", "Mn2", "P", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju,
 Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O
 Note: Uiso(O4) corrected

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formula: Fe S2 O12 H7
compound: Synthetic
formula_title: <missing>
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b: 18.2800
c: 5.4270
alpha: 90
beta: 90
gamma: 90
cell_volume: 964.536
crystal_density: 2.197
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pub_title:
 Thermodynamic properties and crystal structure refinement of
 ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

atoms_sites:
["Fe", "S", "O1", "O2", "O3", "O4", "Wat5", "O-H35", "Wat6", "O-H36", "Wat7", "O-H37", "Wat8", "O-H38"]

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formula: Fe4.619 S6 O46
compound: Synthetic
formula_title: <missing>
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b: 18.363
c: 7.3275
alpha: 93.940
beta: 102.201
gamma: 98.916
cell_volume: 954.414
crystal_density: 2.064
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pub_title:
 Thermodynamic properties and crystal structure refinement of
 ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

atoms_sites:
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compound: Synthetic
formula_title: <missing>
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pub_title:
 Thermodynamic properties and crystal structure refinement of
 ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

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pub_title:
 Parallel intergrowths in cronstedtite-1T:
 determination of the degree of disorder
 Sample: HER
 Note: 1T polytype

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pub_title:
 Parallel intergrowths in cronstedtite-1T:
 determination of the degree of disorder
 Sample: LOS
 Note: 1T polytype

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pub_title:
 Parallel intergrowths in cronstedtite-1T:
 determination of the degree of disorder
 Sample: ROZ
 Note: 1T polytype

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pub_title:
 Parallel intergrowths in cronstedtite-1T:
 determination of the degree of disorder
 Sample: LIT
 Note: 1T polytype

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formula: Ca1.2 K.78 (Si8.52 Al3.48) O35.16 H22.32
compound: Wasson's Bluff, Two Islands, Nova Scotia, Canada
pub_title: Rietveld structure refinement of NH4-exchanged natural chabazite
formula_title: <missing>
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beta: 94.379
gamma: 94.379
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formula: N2 H27.32 K.05 Ca.05 (Si8.52 Al3.48) O33.66
compound: Wasson's Bluff, Two Islands, Nova Scotia, Canada
pub_title: Rietveld structure refinement of NH4-exchanged natural chabazite
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formula: K (Mg2.245 Fe.755) Si4 O12 H1.421
compound: Cava St. Antonio, Mt. Vulture, Potenza, Italy
formula_title: <missing>
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b: 9.239
c: 10.237
alpha: 90
beta: 100.030
gamma: 90
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pub_title:
 Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
 approach: substitutional mechanisms and orientation of the OH dipoles
 Sample: SA1-3

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formula_title: <missing>
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pub_title:
 Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
 approach: substitutional mechanisms and orientation of the OH dipoles
 Sample: SA1-5

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formula_title: <missing>
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pub_title:
 Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
 approach: substitutional mechanisms and orientation of the OH dipoles
 Sample: SA1-9

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compound: Cava St. Antonio, Mt. Vulture, Potenza, Italy
formula_title: <missing>
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atoms_aniso_label: ["K", "Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3", "O4", "H"]
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pub_title:
 Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
 approach: substitutional mechanisms and orientation of the OH dipoles
 Sample: SA1-51

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formula: K Mg2.198 Fe.802 Si4 O12 H1.403
compound: Cava St. Antonio, Mt. Vulture, Potenza, Italy
formula_title: <missing>
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crystal_density: 2.962
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pub_title:
 Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
 approach: substitutional mechanisms and orientation of the OH dipoles
 Sample: SA1-52

qdat:
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formula: Pb11 Bi2 As3 S19
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 8.700
b: 26.237
c: 8.774
alpha: 90
beta: 119.653
gamma: 90
cell_volume: 1740.482
crystal_density: 6.738
atoms_aniso_label: ["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb7", "Bi1"]
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pub_title:
 First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands,
 Italy): chemical data and single-crystal X-ray study

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb7", "Bi1", "As2", "As3", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11"]

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formula: Mg S O11 D14
compound: Synthetic
formula_title: <missing>
a: 11.897133
b: 11.90851
c: 6.78729
alpha: 90
beta: 90
gamma: 90
cell_volume: 961.604
crystal_density: 1.800
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pub_title:
 The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron
 diffraction and ab initio calculation
 Sample: T = 2 K

atoms_sites:
["Mg", "S", "O1s", "O2s", "O3s", "O4s", "O1w", "O2w", "O3w", "O4w", "O5w", "O6w", "O7w", "D11", "D12", "D21", "D22", "D31", "D32", "D41", "D42", "D51", "D52", "D61", "D62", "D71", "D72"]

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formula: Ca2 (Mg.9 Co.1) As2 O10 H4
compound: Schneeberg, Saxony, Germany
formula_title: <missing>
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b: 12.923
c: 5.628
alpha: 90
beta: 107.49
gamma: 90
cell_volume: 402.752
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pub_title:
 Third update on compounds with krohnkite-type chains: the crystal structure of
 wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)

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formula: Ag Sc Cr2 O10 H4
compound: Synthetic
formula_title: AgSc(CrO4)2*2H2O
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b: 6.054
c: 7.432
alpha: 110.74
beta: 90.21
gamma: 117.34
cell_volume: 204.564
crystal_density: 3.416
atoms_sites: ["Ag", "Sc", "Cr", "O1", "O2", "O3", "O4", "Ow5", "H1", "H2"]
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pub_title:
 Third update on compounds with krohnkite-type chains: the crystal structure of
 wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)

qdat:
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formula: Rb2 Cu Cr4 O16 H4
compound: Synthetic
formula_title: Rb2Cu(Cr2O7)2*2H2O
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c: 7.772
alpha: 91.89
beta: 99.72
gamma: 115.79
cell_volume: 380.839
crystal_density: 3.063
atoms_sites: ["Rb", "Cu", "Cr1", "Cr2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Ow8", "H1", "H2"]
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pub_title:
 Third update on compounds with krohnkite-type chains: the crystal structure of
 wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs)

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formula: Cs2 Cu Cr4 O16 H4
compound: Synthetic
formula_title: Cs2Cu(Cr2O7)2*2H2O
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c: 7.847
alpha: 93.19
beta: 99.57
gamma: 116.34
cell_volume: 400.230
crystal_density: 3.308
atoms_sites: ["Cs", "Cu", "Cr1", "Cr2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Ow8", "H1", "H2"]
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formula: Na.51 K.21 Ca2.19 Mg4.03 Ti.13 Al2.19 Fe.71 Si5.94 O22 F2
compound: Dealul Uroi, Hunedoara county, Romania
formula_title: <missing>
a: 9.871
b: 18.006
c: 5.314
alpha: 90
beta: 105.37
gamma: 90
cell_volume: 910.715
crystal_density: 3.163
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:
 Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania):
 Mineral data and crystal structure of a new amphibole end-member

atoms_sites:
["NaAm", "KAm", "CaAm", "NaA2", "KA2", "CaA2", "CaM4", "MgM1", "TiM1", "AlM1", "Fe2+M1", "MgM2", "Fe3+M2", "MgM3", "AlM3", "TiM3", "Fe2+M3", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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formula: Mn2.23 Ca.42 Ce.46 La.23 Nd.12 Sm.01 Sr.07 Fe.23 Ti.1 Mg.04 Al Si3 O13 H
compound: Praborna manganese mine, Saint-Marcel, Aosta valley, Alps, Italy
formula_title: <missing>
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b: 5.738
c: 10.068
alpha: 90
beta: 113.425
gamma: 90
cell_volume: 471.832
crystal_density: 4.220
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pub_title:
 New Mn- and rare-earth-rich epidote-group minerals in metacherts:
 manganiandrosite-(Ce) and vanadoandrosite-(Ce)

atoms_sites:
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formula: Mn.98 Ca.59 Ce.39 La.15 Nd.1 Sm.02 Sr.11 V1.11 Al1.16 Mg.03 Ti.01 Fe.33 Si3 O13 H
compound: Vielle Aure mining district, central Pyrenees, France
formula_title: <missing>
a: 8.856
b: 5.729
c: 10.038
alpha: 90
beta: 113.088
gamma: 90
cell_volume: 468.496
crystal_density: 4.117
pub_title:
 New Mn- and rare-earth-rich epidote-group minerals in metacherts:
 manganiandrosite-(Ce) and vanadoandrosite-(Ce)

atoms_sites:
["Mn2+A1", "CaA1", "CeA2", "LaA2", "NdA2", "SmA2", "CaA2", "SrA2", "V3+M1", "AlM1", "MgM1", "TiM1", "AlM2", "Mn2+M3", "V3+M3", "Fe2+M3", "Fe3+M3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O-H10"]

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formula: Na2.34 K.03 Fe6.75 Al19.35 Mn.36 Ti.09 Mg.09 Zn.09 Si17.64 B9 O90.72 F2.28 H17.72
compound: pegmatite at Grasstein, Trentino-South Tyrol, Italy
formula_title: <missing>
a: 15.997
b: 15.997
c: 7.179
alpha: 90
beta: 90
gamma: 120
cell_volume: 1591.005
crystal_density: 3.227
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal
 structure and chemistry

atoms_sites:
["NaX", "KX", "Fe2+Y", "AlY", "Fe3+Y", "Mn2+Y", "Ti4+Y", "MgY", "ZnY", "AlZ", "FeZ", "SiT", "AlT", "B", "O2", "O-h3V", "FW", "O-HW", "O4", "O5", "O6", "O7", "O8", "H"]

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formula: (Mg1.12 Al.82 Fe.06) Si4 O15.06 D5.01 C.48 N.06 H1.06
compound: starting palygorskite from Chapas, Mexico
formula_title: <missing>
a: 13.338
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alpha: 90
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gamma: 90
cell_volume: 1204.430
crystal_density: 2.337
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pub_title:
 Crystal structure refinement of Maya Blue pigment prepared with deuterated
 indigo, using neutron powder diffraction

atoms_sites:
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formula: (Mg1.12 Al.82 Fe.06) Si4 O14.65 D5.02 C.8 N.1 H1.1
compound: starting palygorskite from Chapas, Mexico
formula_title: <missing>
a: 12.636
b: 17.868
c: 5.223
alpha: 90
beta: 90
gamma: 90
cell_volume: 1179.249
crystal_density: 2.375
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pub_title:
 Crystal structure refinement of Maya Blue pigment prepared with deuterated
 indigo, using neutron powder diffraction

atoms_sites:
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 20 C
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 104 C
formula_title: <missing>
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 202 C
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 306 C
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 601 C
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compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 656 C
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 701 C
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