# cif

formula: Ag Sb S2
compound: <missing>
pub_title: Crystal structure refinement of miargyrite, AgSbS2
formula_title: <missing>
a: 12.824
b: 4.4060
c: 13.193
alpha: 90
beta: 98.567
gamma: 90
cell_volume: 737.121
crystal_density: 5.294
atoms_sites: ["Ag1", "Ag2", "Ag3", "Sb1", "Sb2", "S1", "S2", "S3", "S4"]
atoms_x: AAAAAAAAAABYBwAAGJcPAFBzLQBQwAgAOEg0AADRBgAoODYA
atoms_y: AAAAAJBtOQDArxwAoMw4AOAFPQBAKhMAAIAlAODGCABQ7i8A
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atoms_occupancy: 0
atoms_u_iso: ICkCANBGAgAAvAIAgDgBAJAtAQBQJwEAUEABAPBPAQCQeAEA
atoms_aniso_label: ["Ag1", "Ag2", "Ag3", "Sb1", "Sb2", "S1", "S2", "S3", "S4"]
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atoms_aniso_u22: 0MMCAKDkAgDwwAMAQEsBAEAyAQDwTwEAoJ8BALBiAQCg0QEA
atoms_aniso_u33: MAUCAOBUAgCAfQIAEO8AAIDtAAAQCAEAQAABAKBUAQCgVAEA
atoms_aniso_u12: AAAAAAAAAABwT///8PH//3D+//9ABgAAgPP//0AGAACwNgAA
atoms_aniso_u13: MN///4AMAABw3wAA0DkAALA2AABQLQAAsB0AADB1AADAdgAA
atoms_aniso_u23: AAAAAAAAAABg6gAAYPD//yADAABQ4v//YCIAADD4//8AMgAA
qdat:
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formula: As Zn Ca O5 H
compound: Sonora, Mexico
pub_title: Crystal structure of austinite, CaZn(AsO4)OH
formula_title: <missing>
a: 7.5092
b: 9.0438
c: 5.9343
alpha: 90
beta: 90
gamma: 90
cell_volume: 403.008
crystal_density: 4.308
atoms_sites: ["As", "Zn", "Ca", "O1", "O2", "O3", "O4", "O5", "H"]
atoms_x: CAQmAJBmDgCohiYAMFAbAKBNMADAXBUAIDsYAFCfBgDA2gAA
atoms_y: +FEpADAgHgDIBRQAsBkiAJBhIgBgWBAA8LcRAFAOGgCg3hwA
atoms_z: cIkfAGDXDgAAHx0AQOgdAKDmIwDQFw4AkEsuAHAMHwCgTx8A
atoms_occupancy: 0
atoms_u_iso: qFwAAKCWAAComAAAaBAAAOAVAAC4EAAAmBIAAICJAADgpQEA
atoms_aniso_label: ["As", "Zn", "Ca", "O1", "O2", "O3", "O4", "O5"]
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atoms_aniso_u22: oF8AAEC1AADAdgAAwKgAALDlAABAtQAAUMMAAACWAAA=
atoms_aniso_u33: QFYAAHBiAAAgsgAAIJkAADALAQCwgQAAUJEAAOB5AAA=
atoms_aniso_u12: gPP//zDu///wCgAAMMb//6AoAACgKAAAoCgAAJABAAA=
atoms_aniso_u13: YP///3gPAAAwEQAAsAQAAPDY//+gDwAAsB0AAHD+//8=
atoms_aniso_u23: MAIAABgaAADQBwAAQAYAAPAKAACw6///wCsAADARAAA=
qdat:
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formula: Pb Fe2 As2 O10 H2
compound: Broken Hill, New South Wales, Australia, type specimen
pub_title: The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
formula_title: <missing>
a: 9.066
b: 6.286
c: 7.564
alpha: 90
beta: 114.857
gamma: 90
cell_volume: 391.130
crystal_density: 5.356
atoms_sites: ["Pb", "Fe", "As", "O1", "O2", "O3", "O4", "H"]
atoms_x: AAAAAEBCDwCAATgAUOEUAHDwEgAgQgIA0GgNAFAlEgA=
atoms_y: AAAAAEBCDwCAhB4AgIQeAAAAAACgPxEAgIQeAICEHgA=
atoms_z: AAAAAICEHgCwAQ0A0AcZAJCvFQBQfBAAcMYAAGAmEAA=
atoms_occupancy: 0
atoms_u_iso: oIYBACDLAAAA+gAAwNoAAEAZAQBAGQEAgLUBAAASegA=
atoms_aniso_label: ["Pb", "Fe", "As", "O1", "O2", "O3", "O4"]
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atoms_aniso_u13: INH//8Dg//+gDwAAgMH//wAAAABg8P//gMH//w==
atoms_aniso_u23: AAAAAOA0//8AAAAAAAAAAAAAAAAAg///AAAAAA==
qdat:
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formula: Pb Cu As O5 H
compound: <missing>
formula_title: <missing>
a: 7.768
b: 9.211
c: 5.999
alpha: 90
beta: 90
gamma: 90
cell_volume: 429.235
crystal_density: 6.603
atoms_sites: ["Pb", "Cu", "As", "O2", "O3", "O4", "O5", "O-H1"]
atoms_x: QPkWAMCZDwBgfxYAwKoIAMCwBwAgBSEAIAYMAKB/FwA=
atoms_y: QC4KALBKHgAgMvT/IGURAKCdEgDgz/r/4M/6/8C7GgA=
atoms_z: EEEdAJAALgBA+x4AILEuAKC1DgDAJh4AQNYgAKBVHgA=
atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAoAkBAIC7AACAuwAAgDgBAAB9AAA=
atoms_aniso_label: ["Pb", "Cu", "As"]
atoms_aniso_u11: YJ8AAMDaAADgeQAA
atoms_aniso_u22: MI4AAPBuAABwSQAA
atoms_aniso_u33: 4N0AAEAfAABgbQAA
atoms_aniso_u12: IBwAAKD2///A+f//
atoms_aniso_u13: 4Pz//2Dw//9AHwAA
atoms_aniso_u23: IAMAAADO//9Q+///
pub_title:
 The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
 Note: sample is synthetic

qdat:
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formula: Ca.5 Al Si2 O7 H2
compound: <missing>
formula_title: <missing>
a: 13.694
b: 13.644
c: 13.576
alpha: 90.
beta: 90.46
gamma: 90
cell_volume: 2536.471
crystal_density: 2.275
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:
 Leucite-pollucite structure-type variability and the structure of a
 synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O))

atoms_sites:
["Ca12A", "Ca12B", "Ca2", "Al2A", "Al2B", "Si11A", "Si11B", "Si12A", "Si12B", "O11A", "O11B", "O12A", "O12B", "O21A", "O21B", "O22A", "O22B", "O31A", "O31B", "O32A", "O32B", "WatA", "WatB"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Pb4 S (O12 C2) H2
compound: Leadhills-Wanlockhead orefield, Scotland
formula_title: <missing>
a: 9.242
b: 23.050
c: 10.383
alpha: 90
beta: 90
gamma: 90
cell_volume: 2211.871
crystal_density: 6.480
atoms_occupancy: 0
pub_title:
 Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite
 Note: space group changed from Pcab to Pbca

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "S", "O-H1", "O2", "O3", "O4", "O-H5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "C1", "C2"]

atoms_x:
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atoms_y:
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atoms_z:
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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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qdat:
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formula: Cu3 Mo O8 H4
compound: <missing>
pub_title: The crystal structure of szenicsite, Cu3MoO4(OH)4
formula_title: <missing>
a: 8.5201
b: 12.545
c: 6.0794
alpha: 90
beta: 90
gamma: 90
cell_volume: 649.795
crystal_density: 4.279
atoms_sites: ["Cu1", "Cu2", "Cu3", "Mo", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3"]
atoms_x: cGYQAAAAAAAAAAAAyJQHAJBQEABghgAAcJENAJC0EAAAwgEA8MMPAIDAFABgef7/gPwKAA==
atoms_y: aBcIAAAAAAAAAAAACIcWAHBmEADw0RUAUA8eAPBJAgAAJwYAAMUNAKAPAAAgGAkAwAkOAA==
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atoms_occupancy: 0
atoms_u_iso: 4N0AAADhAADw6wAA4N0AAJAUAQBgTgEAsDABALAXAQBw+AAAUPUAAIA4AQCAOAEAgDgBAA==
atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Mo", "O1", "O2", "O3", "O4", "O5", "O6"]
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qdat:
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formula: Ba (Fe2.52 Sb.48) As2 O14 H7
compound: Clara mine, Black Forest, Germany
pub_title: The structure of antimonian dussertite and the role of antimony in oxysalt minerals
formula_title: <missing>
a: 7.410
b: 7.410
c: 17.4840
alpha: 90
beta: 90
gamma: 120
cell_volume: 831.396
crystal_density: 4.299
atoms_sites: ["Ba", "Fe", "Sb", "As", "O1", "O-H1", "O2", "O-H3"]
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atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAUDkwAEBYNQA=
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atoms_aniso_label: ["Ba", "Fe", "Sb", "As"]
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atoms_aniso_u22: QOcAAOCSAADgkgAA0J0AAA==
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atoms_aniso_u23: AAAAAGAJAABgCQAAAAAAAA==
qdat:
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formula: (Na1.548 Ca2.452) (Al4.872 Si7.128) (S.522 C.478) O27.524
compound: McBride Province, Australia
formula_title: <missing>
a: 12.160
b: 12.160
c: 7.560
alpha: 90
beta: 90
gamma: 90
cell_volume: 1117.864
crystal_density: 2.758
atoms_sites: ["Na", "Ca", "Al1", "Si1", "Al2", "Si2", "S", "C", "O1", "O2", "O3", "O4", "O5", "O6"]
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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:
 Silvialite, a new sulfate-dominant member of the scapolite group with
 an Al-Si composition near the I4/m-P42/n phase transition

qdat:
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formula: Pb4 Cl6 C O4 H2
compound: Bounds Cliff, St Endellion, Cornwall
pub_title: Crystal structure of barstowite (3PbCl2PbCO3H2O)
formula_title: <missing>
a: 4.2023
b: 9.2020
c: 16.6608
alpha: 90
beta: 91.829
gamma: 90
cell_volume: 643.938
crystal_density: 5.774
atoms_sites: ["Pb1", "Pb2", "Pb3", "Cl1", "Cl2", "Cl3", "Cl4", "C", "O1", "O2", "O3", "H"]
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atoms_occupancy: 0
atoms_u_iso: kKoBAFC9AQBQJwEAMCQBAABFAQCwMAEAYE4BAAD6AAAgSAEA4CgBAEAZAQAAEnoA
atoms_aniso_label: ["Pb1", "Pb2", "Pb3", "Cl1", "Cl2", "Cl3", "Cl4", "C", "O1", "O2", "O3"]
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qdat:
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formula: Cu (Al.635 Fe.365) As O6 H2
compound: Humboldt mine, Patagonia, Arizona
formula_title: <missing>
a: 5.7012
b: 5.1801
c: 29.265
alpha: 90
beta: 89.99
gamma: 90
cell_volume: 864.277
crystal_density: 4.211
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:
 Arizona porphyry copper/hydrothermal deposits I.
 The structure of chenevixite and luetheite
 Note: Luetheite-chenevixite series

atoms_sites:
["Cu1", "Cu2", "AlM1", "FeM1", "AlM2", "FeM2", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H1", "O-H2", "O-H3", "O-H4"]

atoms_x:
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formula: Pb Cr O4
compound: Dundas, Tasmania
formula_title: <missing>
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gamma: 90
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pub_title:
 A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K:
 crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K
 Sample: the high temperature form at T = 1073 K

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pub_title:
 Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
 Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis

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pub_title:
 Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
 Note: P = 3.5 GPa, refinement by constrained Rietveld analysis

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formula: Pb4 As Cl4 O4 H
compound: Laurion, Attica, Greece
pub_title: Crystal structure and revision of the chemical formula of georgiadesite, Pb4(AsO3)Cl4(OH)
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compound: Iron Monarch iron ore deposit, South Australia
pub_title: The crystal structure of faustite and its copper analogue turquoise
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compound: Iron Monarch iron ore deposit, South Australia
pub_title: The crystal structure of faustite and its copper analogue turquoise
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formula: Pb5 (Si1.5 S1.5) O12.43 (Cl.57 H.43)
compound: Leadhills, Scotland
pub_title: Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure
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formula: (Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6
compound: Gorduno, Lepontine Alps, Switzerland
formula_title: <missing>
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pub_title:
 In situ high temperature single crystal X-ray diffraction study of a natural omphacite
 Note: structure at room temperature (T=298K)

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formula: (Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6
compound: Gorduno, Lepontine Alps, Switzerland
formula_title: <missing>
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pub_title:
 In situ high temperature single crystal X-ray diffraction study of a natural omphacite
 Note: structure at high temperature (T=1073K)

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formula: (Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6
compound: Gorduno, Lepontine Alps, Switzerland
formula_title: <missing>
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pub_title:
 In situ high temperature single crystal X-ray diffraction study of a natural omphacite
 Note: structure at room temperature (T=298K), after being heated to 1073K

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beta: 90
gamma: 90
cell_volume: 432.128
crystal_density: 7.538
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pub_title:
 Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic
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formula: Pb5 C3 (O12 H2)
compound: Synthetic
pub_title: Crystal chemistry of basic lead carbonates II. Crystal structure of synthetic `plumbonacrite'
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compound: Synthetic
formula_title: Pb3O2(CO3)
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alpha: 90
beta: 90
gamma: 90
cell_volume: 1160.401
crystal_density: 8.169
atoms_sites: ["Pb1", "Pb2", "Pb3", "Pb4", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2

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formula: Na Pb2 (O7 C2) H
compound: Synthetic
formula_title: NaPb2(OH)(CO3)2
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c: 13.474
alpha: 90
beta: 90
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cell_volume: 324.815
crystal_density: 5.873
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pub_title:
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2

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formula: Na4.26 Cu4.37 S4 O18 Cl
compound: <missing>
formula_title: <missing>
a: 18.451
b: 18.451
c: 4.9520
alpha: 90
beta: 90
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cell_volume: 1685.856
crystal_density: 3.260
pub_title:
 Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic
 Na-analogue of piypite (caratiite)
 Locality; synthetic

atoms_sites:
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formula: Pb (Co Ni.64 Zn.36) As2 (O10 H4)
compound: Rappold mine, near Schneeberg, Saxony, Germany
formula_title: <missing>
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b: 5.572
c: 7.593
alpha: 70.19
beta: 70.41
gamma: 69.23
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crystal_density: 5.273
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pub_title:
 On the symmetry of tsumcorite group minerals based on the new species
 rappoldite and zincgartrellite

atoms_sites:
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formula: Pb (Zn1.2 Fe.4) Cu.4 As2 O10 H3.6
compound: Tsumeb, Namibia
formula_title: <missing>
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b: 5.620
c: 7.621
alpha: 68.59
beta: 69.17
gamma: 69.51
cell_volume: 200.104
crystal_density: 5.368
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pub_title:
 On the symmetry of tsumcorite group minerals
 based on the new species rappoldite and zincgartrellite

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formula: Na4 U C3 O11
compound: Synthetic
pub_title: The crystal structure of Na4(UO2)(CO3)3 and its relationship to schrockingerite
formula_title: <missing>
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b: 9.3417
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formula: Rb.811 Al1.062 Si3 O8
compound: Synthetic
pub_title: Refinement of the crystal structure of a synthetic non-stoichiometric Rb-feldspar
formula_title: <missing>
a: 8.839
b: 13.035
c: 7.175
alpha: 90
beta: 116.11
gamma: 90
cell_volume: 742.316
crystal_density: 2.776
atoms_sites: ["Rb", "Al", "SiT1", "AlT2", "SiT2", "AlT2", "OA1", "OA2", "OB", "OC", "OD"]
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formula: Ca Cu U P2 O14 H8
compound: Lake Boga, near Swan Hill, Victoria, Australia
pub_title: Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)
formula_title: <missing>
a: 12.784
b: 6.996
c: 13.007
alpha: 90
beta: 91.92
gamma: 90
cell_volume: 1162.652
crystal_density: 3.631
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formula: Ca Sr Al1.43 Mn1.313 Fe.257 Si3 O13 H
compound: Kalahari manganese fields, South Africa
formula_title: <missing>
a: 8.934
b: 5.718
c: 10.325
alpha: 90
beta: 114.54
gamma: 90
cell_volume: 479.805
crystal_density: 3.779
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pub_title:
 Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals
 from the Kalahari manganese fields, South Africa

atoms_sites:
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formula: Ca9.5 Mn1.35 Al5.15 Si9 O39 H4
compound: Kalahari manganese fields, South Africa
formula_title: <missing>
a: 15.575
b: 15.575
c: 11.824
alpha: 90
beta: 90
gamma: 90
cell_volume: 2868.273
crystal_density: 3.415
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pub_title:
 Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals
 from the Kalahari manganese fields, South Africa

atoms_sites:
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formula: Pb7.818 Ca.182 Mn Si6 O21
compound: Garpenberg Nora mine, Dalarna, Sweden
pub_title: Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement
formula_title: <missing>
a: 9.804
b: 9.804
c: 38.416
alpha: 90
beta: 90
gamma: 120
cell_volume: 3197.785
crystal_density: 6.813
atoms_sites: ["Pb1", "Pb2", "Ca", "Mn", "Si", "O1", "O2", "O3", "O4"]
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formula: Pb14 As2 Cl4 O17
compound: Langban, Sweden
pub_title: Crystal structure refinement of sahlinite, Pb14(AsO4)2O9Cl4
formula_title: <missing>
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b: 22.576
c: 11.287
alpha: 90
beta: 118.37
gamma: 90
cell_volume: 2848.381
crystal_density: 8.079
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formula: (Fe.47 Sb.53) O2
compound: Tripuhy, Minas Gerais, Brazil
pub_title: Tripuhyte, FeSbO4, revisited
formula_title: <missing>
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b: 4.625
c: 3.059
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gamma: 90
cell_volume: 65.434
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formula: (Fe.53 Sb.47) O2
compound: Falotta, Grisons, Switzerland
pub_title: Tripuhyte, FeSbO4, revisited
formula_title: <missing>
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b: 4.6433
c: 3.0815
alpha: 90
beta: 90
gamma: 90
cell_volume: 66.438
crystal_density: 5.940
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formula: Ni1.67 Fe1.33 P
compound: Synthetic
formula_title: <missing>
a: 9.0127
b: 9.0127
c: 4.4473
alpha: 90
beta: 90
gamma: 90
cell_volume: 361.249
crystal_density: 7.475
atoms_sites: ["NiMe2", "FeMe2", "NiMe3", "FeMe1", "P"]
atoms_x: MFUWADBVFgBQPAoAMNoEABCJEQA=
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pub_title:
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Sample: P-44

qdat:
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formula: Ni3 P
compound: Synthetic
formula_title: <missing>
a: 8.9499
b: 8.9499
c: 4.3850
alpha: 90
beta: 90
gamma: 90
cell_volume: 351.242
crystal_density: 7.831
atoms_sites: ["NiMe1", "NiMe2", "NiMe3", "P"]
atoms_x: cMcEALBIFgBQPAoA0IIRAA==
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pub_title:
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Sample: P-33/3

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formula: Pb2 U3 As2 O21 H10
compound: Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany
formula_title: <missing>
a: 31.066
b: 17.303
c: 7.043
alpha: 90
beta: 96.492
gamma: 90
cell_volume: 3761.583
crystal_density: 5.737
atoms_occupancy: 0
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pub_title:
 The structure of hugelite, an arsenate of the phosphuranylite group, and its
 relationship to dumontite
 Note: x(O11) corrected

atoms_sites:
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formula: Na Fe9 (P5.524 As.476) Cu.356 O38 H17
compound: Clara mine, Black Forest, Germany
pub_title: The crystal structures of kidwellite and 'laubmannite', two complex fibrous iron phosphates
formula_title: <missing>
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b: 5.185
c: 13.978
alpha: 90
beta: 107.07
gamma: 90
cell_volume: 1393.769
crystal_density: 3.289
atoms_sites:
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formula: (Ni4.7 Co4.5 Cu.8) As10 O35
compound: Johanngeorgenstadt, Saxony, Germany
formula_title: <missing>
a: 33.256
b: 8.482
c: 14.191
alpha: 90
beta: 104.145
gamma: 90
cell_volume: 3881.592
crystal_density: 4.880
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:
 Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt,
 Saxony, Germany: description and crystal structure

atoms_sites:
["NiM1", "CoM1", "CuM1", "NiM2", "CoM2", "CuM2", "NiM3", "CoM3", "CuM3", "NiM4", "CoM4", "CuM4", "NiM5", "CoM5", "CuM5", "NiM6", "CoM6", "CuM6", "NiM7", "CoM7", "CuM7", "NiM8", "CoM8", "CuM8", "NiM9", "CoM9", "CuM9", "NiM10", "CoM10", "CuM10", "NiM11", "CoM11", "CuM11", "NiM12", "CoM12", "CuM12", "NiM13", "CoM13", "CuM13", "NiM14", "CoM14", "CuM14", "NiM15", "CoM15", "CuM15", "NiM16", "CoM16", "CuM16", "As1", "As2", "As3", "As4", "As5", "As6", "As7", "As8", "As9", "As10", "As11", "As12", "As13", "As14", "As15", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "O35", "O36", "O37", "O38", "O39", "O40", "O41", "O42", "O43", "O44", "O45", "O46", "O47", "O48", "O49", "O50", "O51", "O52", "O53"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Pb3.5 Si.5 O4 Cl
compound: Kombat mine, Namibia
formula_title: <missing>
a: 3.8932
b: 3.8932
c: 22.803
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.625
crystal_density: 8.059
atoms_sites: ["Pb1", "Pb2", "Si2", "O", "Cl"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: AAAAAAAAAAAAAAAAgIQeAAAAAAA=
atoms_z: YB0FABCcEgAQnBIAYLoIAICEHgA=
atoms_occupancy: AAk9AMDGLQBAQg8AAAk9AAAJPQA=
atoms_u_iso: oAkBAEAZAQBAGQEA4JkDAOCfAgA=
atoms_aniso_label: ["Pb1", "Pb2", "Si2", "O", "Cl"]
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pub_title:
 Pb-Si ordering in sheet-oxychloride minerals: the super-structure of asisite,
 nominally Pb7SiO8Cl2

qdat:
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formula: Zn Cu3 O6 Cl2 H6
compound: Mina Los Tres Presidentes, Sierra Gorda, Chile
formula_title: <missing>
a: 6.834
b: 6.834
c: 14.075
alpha: 90
beta: 90
gamma: 120
cell_volume: 569.284
crystal_density: 3.754
atoms_sites: ["Zn", "Cu2", "O", "Cl", "H"]
atoms_x: AAAAAICEHgCAjAwAAAAAAHBkCAA=
atoms_y: AAAAAAAAAACAc/P/AAAAAJCb9/8=
atoms_z: gIQeAAAAAABAvAMA8NsLAOBCBQA=
atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AABxAgA=
atoms_aniso_label: ["Zn", "Cu2", "O", "Cl"]
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atoms_aniso_u23: AAAAAPAjAAAQ9f//AAAAAA==
pub_title:
 Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite
 Note: structure was sent to us from Kurt Mereiter by email

qdat:
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formula: (Rh2.273 Ir.727) S4
compound: Bir Bir River, Yubdo District, Wallaga Province, Ethiopia
pub_title: Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia
formula_title: <missing>
a: 10.4616
b: 10.7527
c: 6.2648
alpha: 90
beta: 109.000
gamma: 90
cell_volume: 666.335
crystal_density: 7.504
atoms_sites: ["Rh1", "Ir1", "Rh2", "Ir2", "Rh3", "Ir3", "Rh4", "Ir4", "S1", "S2", "S3", "S4"]
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atoms_u_iso: 0
atoms_aniso_label: ["Rh1", "Ir1", "Rh2", "Ir2", "Rh3", "Ir3", "Rh4", "Ir4", "S1", "S2", "S3", "S4"]
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qdat:
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formula: Ca2.7 Sr.3 P4 Al7.7 Si3 O45.862 H16
compound: Emmons mine, Greenwood, Maine
pub_title: The crystal structure of perhamite Note: H positions unknown
formula_title: <missing>
a: 7.021
b: 7.021
c: 20.218
alpha: 90
beta: 90
gamma: 120
cell_volume: 863.111
crystal_density: 2.502
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
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formula: Cu3 Zn Cl2.18 O5.82 H5.82
compound: Lavrion, Greece
pub_title: Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its crystal structure
formula_title: <missing>
a: 6.300
b: 6.300
c: 5.733
alpha: 90
beta: 90
gamma: 120
cell_volume: 197.058
crystal_density: 3.643
atoms_sites: ["Cu", "Zn", "Cl1", "Cl2", "O-H2"]
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atoms_aniso_label: ["Cu", "Zn", "Cl1", "Cl2", "O-H2"]
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qdat:
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formula: Na6 La.82 Ce.7 Nd.08 Pr.04 Th.18 Ca.16 (Si11.88 S.12) O34.5 H9
compound: Aris phonolite, Nambia
formula_title: <missing>
a: 7.415
b: 15.515
c: 7.164
alpha: 90
beta: 90
gamma: 90
cell_volume: 824.173
crystal_density: 2.647
pub_title:
 Sazhinite-(La), Na3LaSi6O15(H2O)2, a new mineral from the
 Aris phonolite, Nambia: description and crystal structure

atoms_sites:
["Na1", "Na2", "Na3", "LaM", "CeM", "NdM", "PrM", "ThM", "CaM", "Si1", "S1", "Si2", "S2", "Si3", "S3", "Si4", "S4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "Wat12", "Wat13", "Wat14"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_aniso_label:
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atoms_aniso_u23:
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formula: Ca1.14 Mn.84 Fe.01 Si O5 H2
compound: N'Chwaning II mine, Republic of South Africa
formula_title: <missing>
a: 9.249
b: 9.076
c: 10.342
alpha: 90
beta: 90
gamma: 90
cell_volume: 868.148
crystal_density: 3.099
atoms_sites: ["Ca", "MnM2", "CaM2", "FeM2", "Si", "O2", "O3", "O4", "O5", "O1", "H1", "H2"]
atoms_x: KFsJADAQHwAwEB8AMBAfAHgAFACQnzkAkCgGANBxGABA8AsAUFAPAKAyDwDAPhoA
atoms_y: iA4eAAiYFAAImBQACJgUAGBWDQCAoRUAgJorANCfIQCQIBgAAMcVAKDqGgDgUCQA
atoms_z: 2PEXAHBDGgBwQxoAcEMaADg7KADwzBoAkJURAMB8GAAgcAsA8DIjAODHJQDgsBQA
atoms_occupancy: AAk9AABFMwCAiwgAQJwAAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: wI8AAPCgAADwoAAA8KAAAHB7AAAwpwAAoL4AAMDaAADQtgAA8OsAAABxAgAAcQIA
atoms_aniso_label: ["Ca", "MnM2", "CaM2", "FeM2", "Si", "O2", "O3", "O4", "O5", "O1"]
atoms_aniso_u11: QJwAAGC4AABguAAAYLgAAACWAADQnQAAQAABAFDcAACgvgAAoIYBAA==
atoms_aniso_u22: sJoAAICiAACAogAAgKIAAMB2AAAAyAAA0LYAAIDtAACQyQAAwHYAAA==
atoms_aniso_u33: UHgAAGCGAABghgAAYIYAAJBlAADgkgAAYIYAAHDGAACwmgAAMMAAAA==
atoms_aniso_u12: UPv//xDc//8Q3P//ENz//3D+//8g6v//YCIAAADn///wIwAAMCoAAA==
atoms_aniso_u13: 0AcAAKD2//+g9v//oPb//3D+///g4///0DkAAGAJAAAQDgAAUJf//w==
atoms_aniso_u23: IAMAAHD+//9w/v//cP7//+D8//9w5f//QB8AAMASAAAQ9f//UPv//w==
pub_title:
 Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite,
 a new mineral species from Kalahari manganese fields (Republic of South Africa)

qdat:
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formula_title: <missing>
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pub_title:
 The crystal structure of ammoniojarosite, (NH4)Fe3(SO4)2(OH)6 and the crystal chemistry
 of the ammoniojarosite-hydronium jarosite solid-solution series

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formula: Ag11.706 Cu4.294 (Sb1.382 As.618) S11
compound: Premier mine, Stewart, British Columbia, Canada
formula_title: <missing>
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b: 7.3277
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beta: 90
gamma: 120
cell_volume: 547.563
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pub_title:
 Structural role of copper in the minerals of the pearceite-polybasite group:
 the case of the new minerals cupropearceite and cupropolybasite

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formula: Pb3 I O4 Cl3
compound: San Rafael mine, Sierra Gorda, Chile
formula_title: <missing>
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b: 7.976
c: 27.341
alpha: 90
beta: 90
gamma: 90
cell_volume: 1738.250
crystal_density: 7.022
atoms_occupancy: 0
pub_title:
 The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from
 the San Rafael mine, Sierra Gorda, Chile

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formula: Pb Te Cu3 (O8 H2)
compound: the Empire mine, Tombstone, Arizona, USA
pub_title: The crystal structure of khinite and polytypism in khinite and parakhinite
formula_title: <missing>
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c: 24.022
alpha: 90
beta: 90
gamma: 90
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formula: Pb Te Cu3 (O8 H2)
compound: the Empire mine, Tombstone, Arizona, USA
formula_title: <missing>
a: 5.7491
b: 10.0176
c: 24.022
alpha: 90
beta: 90
gamma: 90
cell_volume: 1383.479
crystal_density: 6.294
atoms_sites: ["Pb", "Te", "Cu(1)", "Cu(2)", "Cu(3)", "O-H(1)", "O(2)", "O(3)", "O(4)"]
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pub_title:
 The crystal structure of khinite and polytypism in khinite and parakhinite
 Note: This is the original khinite, now distinguished as the -4O polytype

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formula: Sb Ag5 S4
compound: Freiberg District, Saxony, Germany
formula_title: <missing>
a: 7.8329
b: 12.458
c: 8.5272
alpha: 90
beta: 90
gamma: 90
cell_volume: 832.104
crystal_density: 6.301
atoms_sites: ["Sb", "Ag1", "Ag2", "Ag3", "S1", "S2", "S3"]
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atoms_aniso_label: ["Sb", "Ag1", "Ag2", "Ag3", "S1", "S2", "S3"]
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pub_title:
 Preferred ion diffusion pathways and activation energies for Ag in the
 crystal structure of stephanite, Ag5SbS4
 Note: y-coordinate of Sb altered by Bindi, June 2009

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formula: Mn5 Si3
compound: Chatkal Ridge, Uzbekistan
pub_title: Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan
formula_title: <missing>
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b: 6.8971
c: 4.8075
alpha: 90
beta: 90
gamma: 120
cell_volume: 198.054
crystal_density: 6.019
atoms_sites: ["Mn1", "Mn2", "Si"]
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atoms_occupancy: 0
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formula: Na.77 K.01 Fe.82 Mg.08 Al.03 Mn.01 Ti.02 S2 P.06 O8
compound: Eldfell volcano, Iceland
pub_title: Eldfellite, NaFe(SO4)2, a new fumarolic mineral from Eldfell volcano, Iceland
formula_title: <missing>
a: 8.043
b: 5.139
c: 7.115
alpha: 90
beta: 92.13
gamma: 90
cell_volume: 293.881
crystal_density: 2.962
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formula: Pb5.24 Bi2.76 S9
compound: Susa Valley, Piedmont, Italy
pub_title: Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms
formula_title: <missing>
a: 13.719
b: 4.132
c: 31.419
alpha: 90
beta: 90.94
gamma: 90
cell_volume: 1780.806
crystal_density: 7.277
atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Pb47 Cl25 O46 C B2 H13
compound: Merehead Quarry, Cranmore, Somerset, England
pub_title: The crystal structure and chemistry of mereheadite
formula_title: <missing>
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b: 27.9419
c: 10.6661
alpha: 90
beta: 93.152
gamma: 90
cell_volume: 5169.563
crystal_density: 7.328
atoms_sites:
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formula: Fe5.6 Zn1.16 Al.24 P3 O18 H6
compound: Broken Hill, New South Wales, Australia
formula_title: <missing>
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b: 16.798
c: 5.151
alpha: 90
beta: 90
gamma: 90
cell_volume: 1199.690
crystal_density: 4.330
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atoms_aniso_u23: wPn//zD4//8w+P//EPX//xD1///A+f//AAAAAAAAAADgsf//AAAAAKBBAAAQJwAAIDUAANC8///A4P//
pub_title:
 Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the
 Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia

atoms_sites:
["FeM1", "ZnM2", "FeM2", "FeM3", "AlM3", "P1", "P2", "O1", "O2", "O-H3", "O4", "O-H5", "O-H6", "O7", "O8"]

atoms_aniso_label:
["FeM1", "ZnM2", "FeM2", "FeM3", "AlM3", "P1", "P2", "O1", "O2", "O-H3", "O4", "O-H5", "O-H6", "O7", "O8"]

qdat:
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formula: Hg11 O4 I2 (Cl1.19 Br.81)
compound: the Clear Creek Claim, San Benito County, California
formula_title: <missing>
a: 7.0147
b: 11.8508
c: 12.5985
alpha: 115.583
beta: 82.575
gamma: 100.619
cell_volume: 926.998
crystal_density: 9.427
atoms_sites: ["Hg1", "Hg2", "Hg3", "Hg4", "Hg5", "Hg6", "O1", "O2", "I", "Cl", "Br"]
atoms_x: AAAAAFh8JgBAMDUAuDohACDTKgDA4QgAYMwFAKDwGQCQ2BQA4GE2AOBhNgA=
atoms_y: gIQeAGgZKQAgWScA4NckACgQHQCADCMAYKIlANALKQCYKzIAsLMyALCzMgA=
atoms_z: AAAAAJAMHQDgZxIA6CwsAICVMADA8CEAMAcKAOCVJQCgcxkA0AspANALKQA=
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A4FAkACC4GAA=
atoms_u_iso: MG8BAMCYAQA4wQEA4MMBAHBWAgCgCAIAwFcBAIA4AQAA2wEAMIICADCCAgA=
atoms_aniso_label: ["Hg1", "Hg2", "Hg3", "Hg4", "Hg5", "Hg6", "O1", "O2", "I", "Cl", "Br"]
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atoms_aniso_u22: AJABAACpAQDQyQEAEIUBAECpAgCAGQIAIMUBAAD6AAAQAgIA4J8CAOCfAgA=
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atoms_aniso_u23: oFoAANCdAABAtQAAIJkAAIAGAQBw3wAA4CgBAECcAADwVQAAkGUAAJBlAAA=
pub_title:
 The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the
 Clear Creek Claim, San Benito County, California

qdat:
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formula: Pb5 Cu S6 O15.67 H8.34
compound: Frongoch mine dump, Devils Bridge, Ceredigion, Wales
formula_title: <missing>
a: 12.5631
b: 8.8963
c: 18.0132
alpha: 90
beta: 96.459
gamma: 90
cell_volume: 2000.469
crystal_density: 5.150
pub_title:
 Steverustite, Pb5(OH)5[Cu(SO3S)3](H2O)2, a new thiosulphate mineral from the
 Frongoch mine dump, Devils Bridge, Ceredigion, Wales: description and crystal structure

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Cu", "S6+1", "S6+2", "S6+3", "S2-4", "S2-5", "S2-6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O-h10", "O-h11", "O-h12", "O-h13", "O-h14", "Wat15", "Wat16", "H1", "H2", "H3", "H4", "H5"]

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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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qdat:
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formula: Cd2.89 Zn1.05 Cu.44 Mn.52 Al.04 Ca.02 Pb.04 (As2.98 P1.02) O20 H10
compound: Broken Hill, New South Wales, Australia
formula_title: <missing>
a: 18.062
b: 9.341
c: 9.844
alpha: 90
beta: 96.17
gamma: 90
cell_volume: 1651.231
crystal_density: 4.204
pub_title:
 Description and crystal structure of nyholmite, a new mineral related to hureaulite,
 from Broken Hill,New South Wales, Australia

atoms_sites:
["CdM1", "ZnM1", "ZnM2", "CuM2", "CdM2", "MnM2", "AlM2", "CdM3", "ZnM3", "CaM3", "PbM3", "AsT1", "PT1", "AsT2", "PT2", "O1", "O-H2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat9", "Wat10"]

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_u13:
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atoms_aniso_u23:
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qdat:
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formula: Ti4.14 Mn1.44 Na4.2 Ca.4 Nb1.43 Al.04 Fe.06 Si8 Ba1.28 Sr.5 K.3 O42 H16
compound: hydrothermally altered pegmatite, Kirovskii mine, Mt Kukisvumchorr,
formula_title: <missing>
a: 5.447
b: 7.157
c: 47.259
alpha: 97.759
beta: 92.136
gamma: 89.978
cell_volume: 1824.198
crystal_density: 3.043
pub_title:
 From structure topology to chemical composition. X. Titanium silicates: the crystal
 structure and crystal chemistry of nechelyustovite, a group III Ti-disilicate mineral
 Khibina alkaline massif, Kola peninsula, Russia

atoms_sites:
["TiMO(1)", "MnMO(1)", "TiMO(2)", "NaMO(3)", "NaMO(4)", "NaMO(5)", "MnMO(5)", "CaMO(5)", "NaMO(6)", "MnMO(6)", "CaMO(6)", "NaMO(7)", "MnMO(7)", "CaMO(7)", "NaMO(8)", "MnMO(8)", "NbMH(1)", "TiMH(1)", "NbMH(2)", "TiMH(2)", "TiMH(3)", "AlMH(3)", "TiMH(4)", "NbMH(4)", "Fe3+MH(4)", "Si(1)", "Si(2)", "Si(3)", "Si(4)", "Si(5)", "Si(6)", "Si(7)", "Si(8)", "BaAP(1)", "SrAP(1)", "KAP(1)", "BaAP(2)", "SrAP(2)", "KAP(2)", "BaAP(3)", "SrAP(3)", "KAP(3)", "NaAP(4)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)", "O(9)", "O(10)", "O(11)", "O(12)", "O(13)", "O(14)", "O(15)", "O(16)", "O(18)", "O(17)", "O(19)", "O(20)", "O(21)", "O(22)", "O(23)", "O(24)", "O(25)", "O(26)", "O(27)", "O(28)", "OXOM(1)", "OXOM(2)", "OXOM(3)", "OXOM(4)", "O-HXOA(1)", "O-HXOA(2)", "O-HXOA(3)", "O-HXOA(4)", "WatXPM(1)", "WatXPM(2)", "WatXPA(1)", "WatXPA(2)", "WatXPA(3)", "Wat(1)", "Wat(2)", "Wat(3)"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["TiMO(1)", "MnMO(1)", "TiMO(2)", "NaMO(7)", "MnMO(7)", "CaMO(7)", "NaMO(8)", "MnMO(8)", "NbMH(1)", "TiMH(1)", "NbMH(2)", "TiMH(2)", "TiMH(3)", "AlMH(3)", "TiMH(4)", "NbMH(4)", "Fe3+MH(4)", "BaAP(1)", "SrAP(1)", "KAP(1)", "BaAP(2)", "SrAP(2)", "KAP(2)"]

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atoms_aniso_u22:
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qdat:
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formula: Na3.12 K.86 Ca.02 Mg1.76 Fe1.04 Zn.04 Al1.18 Ti.02 (Li.91 Mn.09) Si7.96 O22.6 F1.4 H.6
compound: Norra Karr, Granna, Jonkoping, Smaland, Sweden
formula_title: <missing>
a: 9.7043
b: 17.7341
c: 5.2833
alpha: 90
beta: 104.067
gamma: 90
cell_volume: 881.974
crystal_density: 3.261
pub_title:
 Fluoro-aluminoleakeite, NaNa2(Mg2Al2Li)Si8O22F2, a new mineral of the
 amphibole group from Norra Karr, Sweden: description and crystal structure

atoms_sites:
["NaAm", "KAm", "NaM4", "CaM4", "MgM1", "Fe2+M1", "ZnM1", "AlM2", "Fe3+M2", "Fe2+M2", "TiM2", "LiM3", "MnM3", "SiT1", "AlT1", "SiT2", "O1", "O2", "F3", "O3", "O4", "O5", "O6", "O7", "H"]

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_u12:
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atoms_aniso_u23:
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qdat:
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formula: Fe10.08 Mn5.12 Mg.16 Zr.16 Ca.58 (Ti7.44 Nb.48 Al.08) Si16 Ba5.22 K.68 Na2.58 O71.98 (F6.02 H7.98)
compound: the Verkhnee Espe alkaline deposit, Akjailyautas Mountains, Kazakhstan
formula_title: <missing>
a: 10.6965
b: 13.7861
c: 21.478
alpha: 99.345
beta: 92.315
gamma: 89.993
cell_volume: 3122.560
crystal_density: 4.058
pub_title:
 Camaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. II. The crystal structure and
 crystal chemistry of a new group-II Ti-disilicate mineral

atoms_sites:
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formula: Cu3 Cd1.89 Zn.11 S2 O18 H28
compound: Block 14 Opencut, Broken Hill, Australia
formula_title: <missing>
a: 10.863
b: 13.129
c: 11.169
alpha: 90
beta: 113.04
gamma: 90
cell_volume: 1465.862
crystal_density: 3.583
pub_title:
 Description and crystal structure of a new mineral, edwardsite,
 Cu3Cd2(SO4)2(OH)6*4H2O, from Broken Hill, New South Wales, Australia

atoms_sites:
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formula: Ag4.925 Cu3.075 S4
compound: Clara Mine, Black Forest, Germany
pub_title: The crystal structure and compositional range of mckinstryite
formula_title: <missing>
a: 14.047
b: 7.805
c: 15.691
alpha: 90
beta: 90
gamma: 90
cell_volume: 1720.312
crystal_density: 6.602
atoms_sites:
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formula: Na (La.9 Ce.84 Nd.08 Pr.02 Sm.02 Ca.14) C2.63 O7.89 F1.72
compound: Aris, Namibia
formula_title: <missing>
a: 5.1131
b: 5.1131
c: 8.6759
alpha: 90
beta: 90
gamma: 120
cell_volume: 196.433
crystal_density: 4.051
atoms_sites: ["Na", "La", "Ce", "Nd", "Pr", "Sm", "Ca", "C1", "O1", "F", "C2", "O2", "F2"]
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pub_title:
 Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
 with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
 Note: x-coordinate of O1 adjusted to special position

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formula: Na (Ce.94 La.8 Pr.04 Nd.1 Sm.02 Ca.1) C2.7 O8.1 F1.6
compound: Aris, Namibia
formula_title: <missing>
a: 5.1109
b: 5.1109
c: 8.6713
alpha: 90
beta: 90
gamma: 120
cell_volume: 196.160
crystal_density: 4.108
atoms_sites: ["Na", "Ce", "La", "Pr", "Nd", "Sm", "Ca", "C1", "O1", "F", "C2", "O2", "F2"]
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pub_title:
 Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
 with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
 Note: x-coordinate of O1 adjusted to special position

qdat:
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compound: Alai ridge, Tien-Shan Mountains, northern Tajikistan
formula_title: <missing>
a: 9.1202
b: 9.1202
c: 102.145
alpha: 90
beta: 90
gamma: 120
cell_volume: 7357.943
crystal_density: 4.149
formula:
Ti11.92 Nb5.28 Y3.5 Ca9.01 Ce2.51 La1.12 Nd.84 Dy.28 Gd.27 Pr.27 Sm3.18 Fe.42 Sr.96 Si4.66 P3.12 Ba4.98 B9.002 O122.69 F2 H44.1

pub_title:
 Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5:
 the crystal structure and crystal chemistry of the only known mineral with the
 oxyanions (BO3), (SiO4) and (PO4)

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formula: Ti1.24 Fe.26 Nb.16 Mg.08 Mn.04 Zr.02 Al.02 Ba.85 K.72 Na1.26 Ca.15 Si4 O14
compound: Liley, Eifel Mountains, Germany
pub_title: Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure
formula_title: <missing>
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formula: Fe4 As3 O21.5
compound: Gold Hill mine, Gold Hill, Tooele County, Utah, USA
pub_title: The structure of H3O+ - exchanged pharmacosiderite
formula_title: <missing>
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formula: Fe4 As3 O21
compound: Cornwall, England
pub_title: The structure of H3O+ - exchanged pharmacosiderite
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c: 7.980
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formula: Zr P2 Mg O12 H8
compound: Newry, Oxford County, Maine, USA
pub_title: The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure
formula_title: <missing>
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formula: Zn2.61 Pb.51 Te2.09 Ca2.64 O12
compound: <missing>
pub_title: Crystal structure of a zinc calcium tellurate - yafsoanite
formula_title: <missing>
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b: 12.621
c: 12.621
alpha: 90
beta: 90
gamma: 90
cell_volume: 2010.395
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compound: <missing>
pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 1
formula_title: <missing>
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b: 10.382
c: 10.382
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beta: 90
gamma: 90
cell_volume: 1119.034
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compound: <missing>
pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 2
formula_title: <missing>
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b: 10.529
c: 10.529
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beta: 90
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cell_volume: 1167.243
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formula: Ag3.54 Cu6.3 Zn1.44 Fe.72 Sb4 S13
compound: <missing>
pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 3
formula_title: <missing>
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b: 10.576
c: 10.576
alpha: 90
beta: 90
gamma: 90
cell_volume: 1182.944
crystal_density: 5.111
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formula: Ag6 (Cu4.2 Zn.6 Fe1.2) Sb4 S12.01
compound: <missing>
pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 4
formula_title: <missing>
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b: 10.492
c: 10.492
alpha: 90
beta: 90
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cell_volume: 1154.981
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formula: Pb Cu S O6 H2
compound: Leadhills, Scotland
formula_title: <missing>
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b: 5.650
c: 4.690
alpha: 90
beta: 102.65
gamma: 90
cell_volume: 250.822
crystal_density: 5.307
atoms_sites: ["Pb", "Cu", "S", "O1", "O2", "O3", "O-H4", "O-H5"]
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pub_title:
 Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
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qdat:
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formula: Pb2 Cu2 Se2 O11 H4
compound: Synthetic
formula_title: <missing>
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b: 5.712
c: 9.396
alpha: 90
beta: 101.96
gamma: 90
cell_volume: 520.954
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pub_title:
 Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
 with a comparison to linarite PbCu(OH)2(SO4)

atoms_sites:
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formula: Pb8 As2 Cu Cl5 O9
compound: Langban mine, Varmland, Sweden
pub_title: The structure of freedite, Pb8Cu(AsO3)2O3Cl5
formula_title: <missing>
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b: 20.099
c: 7.465
alpha: 90
beta: 105.73
gamma: 90
cell_volume: 1960.936
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formula: Na Fe3 P2 O14 H8
compound: Bosa, Sardinia, Italy
pub_title: Cyrilovite from Italy: structure and crystal chemistry
formula_title: <missing>
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c: 19.3150
alpha: 90
beta: 90
gamma: 90
cell_volume: 1032.966
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formula: Na1.38 Ca4.74 Zr Y.88 Si4 O15.5 F2.5
compound: Kipawa River, Canada
pub_title: The crystal structure of hiortdahlite II Note: this is a polytype of Hiortdahlite I
formula_title: <missing>
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b: 10.342
c: 7.359
alpha: 89.92
beta: 109.21
gamma: 90.06
cell_volume: 791.421
crystal_density: 3.353
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formula: Ca Cu Al Si2 O9
compound: Ajo, Pima County, Arizona, USA
formula_title: <missing>
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b: 11.496
c: 4.696
alpha: 90
beta: 100.81
gamma: 90
cell_volume: 685.430
crystal_density: 3.205
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pub_title:
 Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3
 Note: U(1,1)(O3) changed from .0068 to match reported Uiso

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formula: Fe.5 Al P O9 H8.5
compound: Siglo XX Mine, Llallagau, Bolivia
pub_title: Sigloite: The oxidation mechanism in [M2(PO4)2(OH)2(H21O)2] structures
formula_title: <missing>
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b: 10.419
c: 7.033
alpha: 105.00
beta: 111.31
gamma: 70.87
cell_volume: 330.494
crystal_density: 2.396
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formula: Cu7 Te S5 O24 K Cl
compound: Mount Tolbachik, Kamchatka, USSR
formula_title: <missing>
a: 9.833
b: 9.833
c: 20.5910
alpha: 90
beta: 90
gamma: 90
cell_volume: 1990.900
crystal_density: 3.974
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pub_title:
 The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl:
 The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry

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formula: Cu S O4
compound: Synthetic
pub_title: Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)
formula_title: <missing>
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b: 6.709
c: 4.833
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beta: 90
gamma: 90
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crystal_density: 3.888
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formula: Zn S O4
compound: Synthetic
pub_title: Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)
formula_title: <missing>
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b: 6.746
c: 4.774
alpha: 90
beta: 90
gamma: 90
cell_volume: 277.095
crystal_density: 3.870
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formula: Mg12 P5.76 C.24 O29.76 H6.76
compound: Tingelstadtjern serpentine-magnesium deposit, Modum, Norway
pub_title: The crystal structure of natural and synthetic holtedahlite
formula_title: <missing>
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b: 11.203
c: 4.977
alpha: 90
beta: 90
gamma: 120
cell_volume: 540.962
crystal_density: 2.934
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pub_title: The crystal structure of natural and synthetic holtedahlite
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formula: Ca3 Te2 Zn3 O12
compound: Aldan, USSR
pub_title: Yafsoanite: a garnet type calcium-tellurium(VI)-zinc oxide
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formula: Cu3 P O7 H3
compound: Mine de L'Etoile, Katanga, Zaire
pub_title: Cornetite: modulated densely-packed Cu2+ oxysalt
formula_title: <missing>
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formula: (Pb.928 K.072) Mg2.551 Fe2.449 (Ca1.9 Na.1) Si6.306 Be1.694 O24 H2
compound: Langban, Sweden
pub_title: Joesmithite, a plumbous amphibole revisited and comments on bond valences
formula_title: <missing>
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formula: Mn Te2 O5
compound: Synthetic
formula_title: <missing>
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b: 8.761
c: 12.990
alpha: 90
beta: 90
gamma: 90
cell_volume: 997.049
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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.0

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pub_title:
 Copper-substituted manganese-denningites,
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 Sample: x = 0.33

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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.48

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pub_title:
 Copper-substituted manganese-denningites,
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 Sample: x = 0.80

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pub_title:
 Copper-substituted manganese-denningites,
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 Sample: x = 0.99

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compound: <missing>
pub_title: Bellbergite - a new mineral with the zeolite structure type EAB
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formula: Na.76 Ca.41 Cu.39 (Mg2.45 Fe.55) As3 O12
compound: Nickenich, Nickenicher Sattel, Eifel, Germany
pub_title: Nickenichite, a new arsenate from the Eifel, Germany
formula_title: <missing>
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b: 12.760
c: 6.647
alpha: 90
beta: 112.81
gamma: 90
cell_volume: 928.967
crystal_density: 4.045
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formula: Ca3 S3 O22 H24
compound: Hannebacher Ley, Hannebach, Eifel, Germany
pub_title: Orschallite, Ca3(SO3)2SO4*12H2O, a new calcium-sulfite-sulfate-hydrate mineral
formula_title: <missing>
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b: 11.350
c: 28.321
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gamma: 120
cell_volume: 3159.592
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formula: Pb4 Fe As2 O8 Cl4 H4
compound: Laurion, Greece
formula_title: <missing>
a: 6.548
b: 10.243
c: 5.587
alpha: 96.2
beta: 89.6
gamma: 97.7
cell_volume: 369.165
crystal_density: 5.885
atoms_sites: ["Pb1", "Pb2", "Fe", "As", "O1", "O2", "O3", "Cl1", "Cl2", "Wat4"]
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atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AOClAQBg5AEAAO4CAMDUAQBAEwIA4J8CAA==
atoms_aniso_label: ["Pb1", "Pb2", "Fe", "As"]
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pub_title:
 A re-appraisal of the chemical formula of nealite, Pb4Fe(AsO3)2Cl4*2H2O,
 on the basis of a crystal structure determination

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formula: Na Fe Se2 O8
compound: Synthetic
pub_title: Crystal structure of the yavapaiite type compound NaFe[SeO4]2
formula_title: NaFe[SeO4]2
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b: 5.425
c: 7.176
alpha: 90
beta: 92.44
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cell_volume: 320.141
crystal_density: 3.784
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formula: Sb.57 Na.31 Pb.02 Bi.01 (Ta1.88 Nb.12) O6.19 F.5 Cs.31 H.5
compound: Leshaia pegmatite, Kola Peninsula, Russia
pub_title: Cesstibtantite - a geologic introduction to the inverse pyrochlores Sample: KO-1
formula_title: <missing>
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b: 10.515
c: 10.515
alpha: 90
beta: 90
gamma: 90
cell_volume: 1162.593
crystal_density: 6.677
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formula: Na.45 Sb.39 Pb.14 Ca.06 Bi.02 (Ta1.95 Nb.05) O6.165 F.385 Cs.22 K.01 H.385
compound: <missing>
formula_title: <missing>
a: 10.496
b: 10.496
c: 10.496
alpha: 90
beta: 90
gamma: 90
cell_volume: 1156.303
crystal_density: 6.744
atoms_x: oE8fAKBPHwCgTx8AoE8fAKBPHwAAAAAAAAAAAGD7EgBg+xIAYPsSAGDjFgBg4xYAYOMWAGDjFgA=
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pub_title:
 Cesstibtantite - a geologic introduction to the inverse pyrochlores
 Loclity: Tanco pegmatite, Manitoba, Canada
 Sample: SMP 6

atoms_sites:
["NaA", "Sb3+A", "PbA", "CaA", "Bi3+A", "TaB", "NbB", "Oo", "O-Ho", "Fo", "Csphi", "Kphi", "O-Hphi", "Fphi"]

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formula: Ca5 Si2 S O12
compound: Ettringer Bellerberg volcano, Eifel, Germany
pub_title: Ternesite, Ca5(SiO4)2SO4, a new mineral from the Ettringer Bellerberg/Eifel, Germany
formula_title: <missing>
a: 6.863
b: 15.387
c: 10.181
alpha: 90
beta: 90
gamma: 90
cell_volume: 1075.124
crystal_density: 2.969
atoms_sites: ["Ca1", "Ca2", "Ca3", "Si", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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formula: Ca13 Si10 O34 F10 H12
compound: Alter Berg, Radzein
formula_title: <missing>
a: 9.377
b: 9.377
c: 36.57
alpha: 90
beta: 90
gamma: 120
cell_volume: 2784.732
crystal_density: 2.769
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pub_title:
 On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations
 Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths

atoms_sites:
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formula: Mg6.68 P3.32 As.3 C.38 O18.62 H6.92
compound: <missing>
pub_title: Carbonate-substituted phosphoellenbergerite from Modum, Norway: description and crystal structure
formula_title: <missing>
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b: 12.467
c: 5.0437
alpha: 90
beta: 90
gamma: 120
cell_volume: 678.897
crystal_density: 2.921
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formula: Cu4 Cd S2 O18 H14
compound: Lavrion mining district, Attica peninsula, Greece
pub_title: Niedermayrite, Cu4Cd(SO4)2(OH)6*4H2O, a new mineral from the Lavrion Mining District, Greece
formula_title: <missing>
a: 5.543
b: 21.995
c: 6.079
alpha: 90
beta: 92.04
gamma: 90
cell_volume: 740.672
crystal_density: 3.286
atoms_occupancy: 0
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atoms_aniso_label:
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qdat:
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formula: (Bi Pb) Fe P O7 H
compound: Schneeberg, Germany
formula_title: <missing>
a: 12.278
b: 3.815
c: 6.899
alpha: 90
beta: 111.14
gamma: 90
cell_volume: 301.406
crystal_density: 6.788
atoms_sites: ["Bi", "Pb", "Fe", "P", "Oo", "O-H", "Op1", "Op2"]
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atoms_occupancy: gIQeAICEHgAACT0AgIQeAAAJPQCAhB4AAAk9AICEHgA=
atoms_u_iso: cI4BAHCOAQAwCwEAgDgBAAB3AQCgCQEAYGcBAECWAQA=
atoms_aniso_label: ["Bi", "Pb", "Fe", "P", "Oo", "O-H", "Op1", "Op2"]
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBtAAA=
pub_title:
 Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from
 Schneeberg, Germany: description and crystal structure

qdat:
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formula: Ba Fe3.7 Ca.3 P3 O15 H3
compound: Spring Creek copper mine, southern Flinders Ranges, South Australia
formula_title: <missing>
a: 9.200
b: 12.369
c: 5.003
alpha: 90
beta: 100.21
gamma: 90
cell_volume: 560.300
crystal_density: 4.101
atoms_sites: ["Ba", "Fe1", "Ca", "Fe2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O-H8", "O-H9"]
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atoms_aniso_label: ["Ba", "Fe1", "Ca", "Fe2", "P1", "P2"]
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atoms_aniso_u22: sP4AADDAAAAwwAAAoKUAAKC+AAAQvQAA
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atoms_aniso_u23: AAAAAAgCAAAIAgAAcP7//wAAAABABgAA
pub_title:
 Johntomaite, a new member of the bjarebyite group of barium phosphates:
 description and structure refinement

qdat:
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formula: Mg C O6 H6
compound: Sounion, Lavrion mining district, Greece
pub_title: The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece
formula_title: <missing>
a: 7.701
b: 5.365
c: 12.126
alpha: 90
beta: 90.41
gamma: 90
cell_volume: 500.983
crystal_density: 1.834
atoms_sites: ["Mg", "C", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4", "H5", "H6"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Mg", "C", "O1", "O2", "O3", "O4", "O5", "O6"]
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qdat:
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formula: (Ba.84 Na.06 K.05 Sr.05) Fe9.363 Mg.305 Ti2.328 O19
compound: Quaternary volcanic rocks of the western Eifel area, Germany
formula_title: <missing>
a: 5.909
b: 5.909
c: 23.369
alpha: 90
beta: 90
gamma: 120
cell_volume: 706.641
crystal_density: 5.023
pub_title:
 Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral
 from the Quaternary volcanic rocks of the western Eifel area, Germany
 Note: z-coordinate of A-site altered because it was obviously a typo

atoms_sites:
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qdat:
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formula: Pb2 Cu (As S) (O9 H)
compound: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia
pub_title: The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH)
formula_title: <missing>
a: 7.804
b: 5.890
c: 8.964
alpha: 90
beta: 112.29
gamma: 90
cell_volume: 381.246
crystal_density: 6.359
atoms_sites: ["Pb1", "Pb2", "Cu", "As1", "S1", "As2", "S2", "O-H1", "O2", "O3", "O4", "O5", "O6", "O7"]
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atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Cu10 As4 S O34 H22
compound: Leogang polymetallic ore district, Salzburg province, Austria
formula_title: <missing>
a: 21.770
b: 12.327
c: 10.720
alpha: 90
beta: 92.85
gamma: 90
cell_volume: 2873.248
crystal_density: 3.545
atoms_occupancy: 0
pub_title:
 Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining
 district, Salzburg province, Austria

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "As1", "As2", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O-H1", "O-H2", "O-H3", "Wat1", "Wat2", "Wat3", "Wat4"]

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atoms_aniso_label:
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formula: Fe Sb Bi S4
compound: Caspari mine, North Rhine-Westphalia, Germany
formula_title: <missing>
a: 11.413
b: 14.164
c: 3.759
alpha: 90
beta: 90
gamma: 90
cell_volume: 607.656
crystal_density: 5.628
atoms_sites: ["Fe", "Sb", "Bi", "S1", "S2", "S3", "S4"]
atoms_x: wFQTALDTCABAXgIAcOgLAADIGQAQoQ0AAIobAA==
atoms_y: qHAUAGBMAwD47hgA8IsQAHA5CwCAOR4AkLYYAA==
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atoms_occupancy: 0
atoms_u_iso: YBwBAPAdAQDwHQEAgB8BAFD1AAAA+gAAAPoAAA==
atoms_aniso_label: ["Fe", "Sb", "Bi", "S1", "S2", "S3", "S4"]
atoms_aniso_u11: ECEBAGAcAQAQIQEAIEgBAKAJAQCgCQEAQBkBAA==
atoms_aniso_u22: ABMBAGAcAQDQGgEAQBkBAGDqAAAA+gAAYOoAAA==
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
pub_title:
 Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany:
 composition, physical properties and determination of the crystal structure

qdat:
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formula: K.926 Na.772 Mg2.793 Mn.386 Be1.821 Si12 O30
compound: Bellerberg volcano, Eifel area, Germany
formula_title: <missing>
a: 9.970
b: 9.970
c: 14.130
alpha: 90
beta: 90
gamma: 120
cell_volume: 1216.363
crystal_density: 2.666
atoms_sites: ["KC", "NaB", "MgA", "MnA", "BeT2", "MgT2", "SiT1", "O1", "O2", "O3"]
atoms_x: AAAAAFVYFABVWBQAVVgUAICEHgCAhB4AQCMGAGBDBwAw3AwAEEIIAA==
atoms_y: AAAAAKuwKACrsCgAq7AoAAAAAAAAAAAAGJYVANDuGADgLBEAYAQeAA==
atoms_z: QEIPAMA+AQBAQg8AQEIPAEBCDwBAQg8AsKgGAAAAAABA1gcA4OwKAA==
atoms_occupancy: wIQ4AKDHCwBgQTEAoMcLAGAMJQCg/BcAAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: EJ4BAMDUAQAA+gAAAPoAACCyAAAgsgAAMMAAAGDLAQAw0wEA4FoBAA==
atoms_aniso_label: ["KC", "NaB", "MgA", "MnA", "BeT2", "MgT2", "SiT1", "O1", "O2", "O3"]
atoms_aniso_u11: IHoBAIA4AQBQ9QAAUPUAAMDaAADA2gAAsLMAAGDeAgAgxQEAANsBAA==
atoms_aniso_u22: IHoBAIA4AQBQ9QAAUPUAADBcAAAwXAAA8LkAAAB3AQAQZgIAkC0BAA==
atoms_aniso_u33: 0OIBAEANAwDQAQEA0AEBANC2AADQtgAAQM4AAMDBAABgLwIA4FoBAA==
atoms_aniso_u12: EL0AAECcAACoegAAqHoAABguAAAYLgAAEFkAAMDaAADQsAEAQAABAA==
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMN///wAAAACAwf//IG3//w==
pub_title:
 Friedrichbeckeite, K(_0.5Na0.5)2(Mg0.8Mn0.1Fe0.1)2(Be0.6Mg0.4)3[Si12O30],
 a new milarite-type mineral from the Bellerberg volcano, Eifel area, Germany

qdat:
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formula: Fe.55 Cu1.45 As O5
compound: Black Pine mine, Montana, USA
formula_title: <missing>
a: 8.6235
b: 8.2757
c: 5.9501
alpha: 90
beta: 90
gamma: 90
cell_volume: 424.632
crystal_density: 4.345
atoms_sites: ["FeM", "CuM", "Cu", "As", "O1A", "O1B", "O2", "O3", "O4"]
atoms_x: QEAHAEBABwAAAAAA4FEPAKB5GADgnhcAMAwFAOBLEADQEvr/
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atoms_u_iso: UPUAAFD1AABgVAAAYFQAAKAPAACgDwAAgFcAAECWAQCwNgAA
atoms_aniso_label: ["FeM", "CuM", "Cu", "As"]
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atoms_aniso_u12: AAAAAAAAAACAJQAAYAkAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAA==
pub_title:
 Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group,
 from the Black Pine mine, Montana, USA

qdat:
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formula: Ag3 As S3
compound: Synthetic
formula_title: <missing>
a: 12.02
b: 6.262
c: 17.08
alpha: 90
beta: 110.9
gamma: 90
cell_volume: 1201.012
crystal_density: 5.472
atoms_sites: ["Ag1", "Ag2", "Ag3", "As", "S1", "S2", "S3"]
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atoms_y: EAICADBkOQBw0wIAcGkDAODNCwDwiQgAwMMIAA==
atoms_z: MEANAEDIGgBQYQgAACwaAOApBQCg4hMAcPcVAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ag1", "Ag2", "Ag3", "As", "S1", "S2", "S3"]
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atoms_aniso_u22: oNgEAFCSBACQcgIAIGEBACBIAQCgNQIAYGcBAA==
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atoms_aniso_u23: QHD//1DcAADQ7v//AOf///DY//9QFAAAgAwAAA==
pub_title:
 Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen
 Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie

qdat:
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formula: Bi2 Sr2 Cu2 Ca O8
compound: <missing>
pub_title: Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8" _cod_database_code 1000285
formula_title: Bi2Sr2CaCu2O8
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b: 5.4016
c: 30.7152
alpha: 90
beta: 90
gamma: 90
cell_volume: 896.816
crystal_density: 6.580
atoms_sites: ["Bi1", "Sr1", "Cu1", "Ca1", "O1", "O2", "O3", "O4"]
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atoms_u_iso: 0
atoms_aniso_label: ["Bi1", "Sr1", "Ca1"]
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qdat:
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formula: (Tl1.93 Ca1.07) Ba2 Cu2 O8
compound: <missing>
pub_title: Tl2Ba2CaCu2O8: structure and superconductivity _cod_database_code 1001420
formula_title: Ba2 Ca1.07 Cu2 O8 Tl1.93
a: 3.86
b: 3.86
c: 29.388
alpha: 90
beta: 90
gamma: 90
cell_volume: 437.869
crystal_density: 7.335
atoms_sites: ["Tl1", "Ca1", "Ba1", "Ca2", "Tl2", "Cu1", "O1", "O2", "O3"]
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Br
compound: Synthetic
formula_title: <missing>
a: 6.5672
b: 4.4678
c: 8.6938
alpha: 90
beta: 90
gamma: 90
cell_volume: 255.084
crystal_density: 4.161
atoms_sites: ["Br"]
atoms_x: AAAAAA==
atoms_y: 4HsIAA==
atoms_z: oMwGAA==
atoms_occupancy: 0
atoms_u_iso: SEkAAA==
atoms_aniso_label: ["Br"]
atoms_aniso_u11: QFEAAA==
atoms_aniso_u22: MN///w==
atoms_aniso_u33: 8KAAAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: IAMAAA==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 5 K

qdat:
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formula: Br
compound: Synthetic
formula_title: <missing>
a: 6.5982
b: 4.4933
c: 8.7014
alpha: 90
beta: 90
gamma: 90
cell_volume: 257.976
crystal_density: 4.115
atoms_sites: ["Br"]
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atoms_occupancy: 0
atoms_u_iso: KKoAAA==
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atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: wPn//w==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 80 K

qdat:
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formula: Br
compound: Synthetic
formula_title: <missing>
a: 6.6567
b: 4.5541
c: 8.7068
alpha: 90
beta: 90
gamma: 90
cell_volume: 263.949
crystal_density: 4.021
atoms_sites: ["Br"]
atoms_x: AAAAAA==
atoms_y: kE4IAA==
atoms_z: kL4GAA==
atoms_occupancy: 0
atoms_u_iso: oJUBAA==
atoms_aniso_label: ["Br"]
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atoms_aniso_u33: UO8BAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: MBEAAA==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 170 K

qdat:
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formula: Br
compound: Synthetic
formula_title: <missing>
a: 6.7265
b: 4.6451
c: 8.7023
alpha: 90
beta: 90
gamma: 90
cell_volume: 271.906
crystal_density: 3.904
atoms_sites: ["Br"]
atoms_x: AAAAAA==
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atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: 0Lz//w==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 250 K

qdat:
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formula: Cl
compound: Synthetic
formula_title: <missing>
a: 6.1453
b: 4.3954
c: 8.1537
alpha: 90
beta: 90
gamma: 90
cell_volume: 220.240
crystal_density: 2.138
atoms_sites: ["Cl"]
atoms_x: AAAAAA==
atoms_y: 0IwHAA==
atoms_z: kEEGAA==
atoms_occupancy: 0
atoms_u_iso: SKgAAA==
atoms_aniso_label: ["Cl"]
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atoms_aniso_u33: UKoAAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: sAQAAA==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 22 K

qdat:
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formula: Cl
compound: Synthetic
formula_title: <missing>
a: 6.1804
b: 4.4174
c: 8.1711
alpha: 90
beta: 90
gamma: 90
cell_volume: 223.082
crystal_density: 2.111
atoms_sites: ["Cl"]
atoms_x: AAAAAA==
atoms_y: gHgHAA==
atoms_z: 4DwGAA==
atoms_occupancy: 0
atoms_u_iso: GA8BAA==
atoms_aniso_label: ["Cl"]
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atoms_aniso_u33: oPAAAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: gPP//w==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 55 K

qdat:
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formula: Cl
compound: Synthetic
formula_title: <missing>
a: 6.2235
b: 4.4561
c: 8.1785
alpha: 90
beta: 90
gamma: 90
cell_volume: 226.811
crystal_density: 2.076
atoms_sites: ["Cl"]
atoms_x: AAAAAA==
atoms_y: sHAHAA==
atoms_z: 8DEGAA==
atoms_occupancy: 0
atoms_u_iso: qJcBAA==
atoms_aniso_label: ["Cl"]
atoms_aniso_u11: IKwBAA==
atoms_aniso_u22: AMIBAA==
atoms_aniso_u33: UEABAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: 0AcAAA==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 100 K

qdat:
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formula: Cl
compound: Synthetic
formula_title: <missing>
a: 6.2929
b: 4.5361
c: 8.1617
alpha: 90
beta: 90
gamma: 90
cell_volume: 232.978
crystal_density: 2.022
atoms_sites: ["Cl"]
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atoms_aniso_label: ["Cl"]
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atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: YPD//w==
pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 160 K

qdat:
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formula: As2 O3
compound: Synthetic
pub_title: Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)
formula_title: <missing>
a: 7.990
b: 4.645
c: 9.115
alpha: 90
beta: 78.3
gamma: 90
cell_volume: 331.261
crystal_density: 3.967
atoms_sites: ["As1", "As2", "O1", "O2", "O3"]
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formula: Ag8 Ge S6
compound: Synthetic
formula_title: <missing>
a: 15.149
b: 7.476
c: 10.589
alpha: 90
beta: 90
gamma: 90
cell_volume: 1199.246
crystal_density: 6.247
atoms_sites: ["Ag1", "Ag2", "Ag3", "Ag4", "Ag5", "Ag6", "Ag7", "Ag8", "Ge", "S1", "S2", "S3", "S4", "S5", "S6"]
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atoms_u_iso: 0
atoms_aniso_label: ["Ag1", "Ag2", "Ag3", "Ag4", "Ag5", "Ag6", "Ag7", "Ag8", "Ge", "S1", "S2", "S3", "S4", "S5", "S6"]
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pub_title:
 Die kristallstrukture der tieftemperaturmodifikation von Ag8GeS6
 Note: z-coordinate of Ag6 altered to reproduce reported bond lengths

qdat:
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formula: As2 O3
compound: <missing>
pub_title: Verfeinerung der kristallstruktur des minerals claudetit
formula_title: <missing>
a: 5.25
b: 12.99
c: 4.53
alpha: 90
beta: 93.88
gamma: 90
cell_volume: 308.227
crystal_density: 4.263
atoms_sites: ["As1", "As2", "O1", "O2", "O3"]
atoms_x: kLoPAADgFQCQkRoA0FwoAICkOgA=
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atoms_z: 8JQCADBDAAAAzwMAEDwJAMDcCAA=
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atoms_u_iso: 6GwAAJiAAACA7QAACBUBAIDtAAA=
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
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formula: Ca C O4 H2
compound: <missing>
formula_title: <missing>
a: 6.0931
b: 6.0931
c: 7.5446
alpha: 90
beta: 90
gamma: 120
cell_volume: 242.574
crystal_density: 2.425
atoms_sites: ["Ca", "C", "O1", "O2", "Ow", "H"]
atoms_x: kOYQAEDfKwAA1RsAsDcEADDJJAAAsSEA
atoms_y: AAAAADBo/v+AvxAAgOz8/wAAAABgzAUA
atoms_z: VVgUAEAxFgCAPwQAAPMvAMjcMgCA6DcA
atoms_occupancy: AAk9AICEHgAACT0AgIQeAAAJPQAACT0A
atoms_u_iso: cPMAAJjfAACQPAEA0IMBAEhcAQAAEnoA
atoms_aniso_label: ["Ca", "O1", "O2", "Ow"]
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atoms_aniso_u22: cMYAAIgIAQAwaQIAkB4BAA==
atoms_aniso_u33: 6HUBAKDCAQCgwgEAoMIBAA==
atoms_aniso_u12: cMYAADCEAABwxgAAkB4BAA==
atoms_aniso_u13: 4Pz///g+AADogf//GH4AAA==
atoms_aniso_u23: wPn///g+AAD4A///CPwAAA==
pub_title:
 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
 monohydrocalcit, CaCO3*H2O
 Substructure

qdat:
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formula: Ca C O4 H2
compound: <missing>
formula_title: <missing>
a: 10.5536
b: 10.5536
c: 7.5446
alpha: 90
beta: 90
gamma: 120
cell_volume: 727.726
crystal_density: 2.425
atoms_x: UE8LAFBZMwAwGSAAgJ0FAMDGLQAgLxoAwJIMAIA4AQAgBDYAIMkqAOBiIQBAlRYAgKkDAIBIKACgeRgAAO0XAEAHBACApy0A
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atoms_occupancy: 0
atoms_u_iso: CBUBAIDtAABgOwAAkDwBACCyAADIiwEAkDwBAJA8AQAgsgAAILIAAMiLAQDIiwEAkDwBACCyAADIiwEAwHYAAJA8AQAwAQEA
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:
 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
 monohydrocalcit, CaCO3*H2O
 Superstructure

atoms_sites:
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formula: Si Mg O3
compound: <missing>
pub_title: Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa
formula_title: <missing>
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formula: B7
compound: <missing>
pub_title: Ionic high-pressure form of elemental boron Note: theoretical calculation
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formula: Au2 Te3
compound: Robb-Montbray, Quebec
pub_title: Crystal structure of montbrayite
formula_title: <missing>
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b: 13.44
c: 10.80
alpha: 104.38
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formula: (Cu.888 Fe1.112) Pb12 (Bi7.89 Sb6.11) S35
compound: Korunka mine, Spissko-Gemerske Rudohorie Mountains, Czechoslovakia
pub_title: Crystal structure of kobellite
formula_title: <missing>
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formula: Mg5 B O10.4 H7.8
compound: Crestmore, California, USA
pub_title: Wightmanite, Mg5(O)(OH)5(BO3)*nH2O, a natural drainpipe
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formula: Ca9.267 (Fe.2 Mg.8) P7 O28
compound: Palermo Quarry
pub_title: Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Heated
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formula: Ca9.083 (Mg.8 Fe.2) P7 O28
compound: Palermo Quarry
formula_title: <missing>
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b: 10.330
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pub_title:
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 Sample: Unheated, T = 293 K, hexagonal cell
 Note: CaIIB1(z) changed

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formula: Ca Al B3 O7
compound: Johachido, North Korea
pub_title: Johachidolite, CaAl[B3O7], a borate with very dense atomic structure
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c: 4.374
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formula: Bi2 Te3
compound: Synthetic
pub_title: Ein vergleich zwischen Bi2Te3 und Bi2Te2S
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formula: Bi2 Te2 S
compound: <missing>
pub_title: Ein Vergleich zwischen Bi2Te3 und Bi2Te2S
formula_title: <missing>
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b: 10.31
c: 10.31
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gamma: 24.17
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formula: Ag As S2
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: Die struktur des smithits AgAsS2
formula_title: <missing>
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b: 7.78
c: 15.19
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formula: V S4
compound: Minasraga, Peru
pub_title: Die kristallstruktur des patronits V(S2)2 Note: typo fixed S2(y)
formula_title: <missing>
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b: 10.42
c: 12.11
alpha: 90
beta: 100.8
gamma: 90
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formula: (Mn.56 Ca.3 Zn.12 Mg.02) Te2 O5
compound: <missing>
pub_title: Die kristallstruktur von denningit, (Mn,Ca,Zn)Te2O5
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b: 8.82
c: 13.04
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formula: Sb2 S2 O
compound: <missing>
pub_title: Die kristallstruktur des kermesits, Sb2S2O
formula_title: <missing>
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b: 8.16
c: 20.378
alpha: 90
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gamma: 90
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 Note: x,y coordinates of O3 altered to produce a more reasonable structure

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 kristallchemische untersuchungen an isotypen verbindungen

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 Chemistry and crystallography of the lillianite homologous series
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formula: Cu Fe2 As2 O14 H10
compound: <missing>
pub_title: Die kristallstruktur von arthurit, CuFe2[(H2O)4|(OH)2|(AsO4)2]
formula_title: <missing>
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b: 9.649
c: 5.598
alpha: 90
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gamma: 90
cell_volume: 549.969
crystal_density: 3.377
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formula: Ba6 Ca6 Mg O39 C13
compound: <missing>
pub_title: Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13
formula_title: <missing>
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b: 18.280
c: 8.652
alpha: 90
beta: 90
gamma: 120
cell_volume: 2503.800
crystal_density: 3.718
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formula: (Tl1.8 K.2) Cu5.51 Fe.72 Ag.12 Sb S4
compound: Ilimaussaq massif, Greenland
pub_title: New data on bukovite, thalcusite, chalcothallite and rohaite
formula_title: <missing>
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b: 3.827
c: 34.280
alpha: 90
beta: 90
gamma: 90
cell_volume: 502.062
crystal_density: 6.807
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formula: Zn As O5
compound: Tsumeb, Namibia
pub_title: Die kristallstruktur von koritnigit, Zn[H2O|HOAsO3]
formula_title: <missing>
a: 7.948
b: 15.829
c: 6.668
alpha: 90.86
beta: 96.56
gamma: 90.05
cell_volume: 833.305
crystal_density: 3.512
atoms_occupancy: 0
atoms_sites:
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formula: Na2.291 Mn10 Si11 V O38 H2
compound: Liguria, Italy
pub_title: The crystal structure of a new manganese silicate
formula_title: <missing>
a: 9.741
b: 9.974
c: 9.108
alpha: 92.70
beta: 117.11
gamma: 105.30
cell_volume: 745.192
crystal_density: 3.503
atoms_sites:
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formula: Sb5.5 Pb3 Ag1.5 S12
compound: Chocaya Mine, Potosi, Bolivia
formula_title: <missing>
a: 19.24
b: 13.08
c: 8.73
alpha: 90
beta: 90.28
gamma: 90
cell_volume: 2196.958
crystal_density: 5.556
atoms_aniso_label: ["SbM1", "SbM2", "PbM3", "AgM4", "PbM5", "SbM6", "SbM7", "PbM8", "SbM9", "AgM9", "SbM10"]
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pub_title:
 The crystal structure of ramdohrite, Pb6Sb11Ag3S24, and its implications for
 the andorite group and zinckenite
 Note: changed S12(z) to match reported bond distances

atoms_sites:
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formula: Mg S O5 H2
compound: Wathlingen, Hanover, Germany
pub_title: Kieserite, Mg(SO4)(H2O), a titanite-group mineral
formula_title: <missing>
a: 6.891
b: 7.624
c: 7.645
alpha: 90
beta: 117.70
gamma: 90
cell_volume: 355.614
crystal_density: 2.585
atoms_sites: ["Mg", "S", "O1", "O2", "Ow3", "H"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Mg", "S", "O1", "O2", "Ow3"]
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formula: K Na Cu3 S3 O13
compound: Vesuvius, Italy
pub_title: The crystal structure of euchlorine, NaKCu3O(SO4)3
formula_title: <missing>
a: 18.410
b: 9.43
c: 14.21
alpha: 90
beta: 113.7
gamma: 90
cell_volume: 2258.890
crystal_density: 3.275
atoms_occupancy: 0
atoms_aniso_label: ["K", "Na", "Cu1", "Cu2", "Cu3", "S1", "S2", "S3"]
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atoms_sites:
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compound: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
pub_title: Berborite polytypes Sample: 1T polytype Note: anisoU's from ICSD
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formula: Be2 B O5 H3
compound: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
pub_title: Berborite polytypes Sample: 2H polytype Note: anisoU's from ICSD
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formula: Be2 B O5 H3
compound: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
pub_title: Berborite polytypes Sample: 2T polytype Note: anisoU's from ICSD
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formula: (Mn6.44 Cu.56) Si O12
compound: <missing>
formula_title: <missing>
a: 9.406
b: 9.406
c: 18.546
alpha: 90
beta: 90
gamma: 90
cell_volume: 1640.817
crystal_density: 4.934
atoms_sites: ["Mn1", "Cu1", "Mn2", "Cu2", "Mn3", "Cu3", "Mn4", "Cu4", "Si", "O1", "O2", "O3"]
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pub_title:
 Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite
 group: natural occurrence, synthesis, and crystal structure

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formula: Tl As S2
compound: Crven Dol, Allchar, Republic of Macedonia
formula_title: <missing>
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b: 11.313
c: 6.114
alpha: 90
beta: 104.21
gamma: 90
cell_volume: 824.463
crystal_density: 5.534
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pub_title:
 Contributions to the crystal chemistry of thallium sulphosalts III.
 The crystal structure of lorandite (TlAsS2) and its relation to
 weissbergite (TlSbS2)

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formula: Pb.39 Sn.61 (S.93 Se.07)
compound: Radvanice near Trutnov, Czech Republic
pub_title: Teallite from Radvanice near Trutnov (Czech Republic) Sample: Isotropic refinement
formula_title: <missing>
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formula: (Pb.41 Sn.59) (S.93 Se.07)
compound: Radvanice near Trutnov, Czech Republic
pub_title: Teallite from Radvanice near Trutnov (Czech Republic) Sample: Anisotropic refinement
formula_title: <missing>
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formula: Ca8 (Mg.912 Fe.028 Al.06) Si4 O16.142 Cl1.858
compound: Bellerberg volcano lava field, 2 km N of Mayen,
formula_title: <missing>
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b: 15.0850
c: 15.0850
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beta: 90
gamma: 90
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crystal_density: 3.028
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pub_title:
 Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite,
 K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite,
 Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany
 Eastern Eifel volcanic area, Eifel, Germany

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formula: K.928 Na.2 (Mn1.058 Fe.62 Mg.322) (Be2.214 Al.786) Si12 O30
compound: Bellerberg volcano lava field, 2 km N of Mayen,
formula_title: <missing>
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c: 14.090
alpha: 90
beta: 90
gamma: 120
cell_volume: 1219.498
crystal_density: 2.722
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pub_title:
 Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite,
 K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite,
 Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany
 Eastern Eifel volcanic area, Eifel, Germany

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compound: Bellerberg volcano lava field, 2 km N of Mayen,
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alpha: 90
beta: 90
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cell_volume: 1742.860
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pub_title:
 Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite,
 K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite,
 Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany
 Eastern Eifel volcanic area, Eifel, Germany

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formula: (Na2 Ca) Pb3 C5 O15
compound: Santa Rosa mine, near Iquique, Chile
formula_title: <missing>
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b: 10.5702
c: 6.6509
alpha: 90
beta: 90
gamma: 120
cell_volume: 643.543
crystal_density: 5.200
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pub_title:
 Sanromanite, from the Santa Rosa mine, Atacama desert, Chile,
 a new mineral of the burbankite group

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formula: Mn1.436 Fe.48 P O5
compound: Helikon II mine, Karibib, Namibia
formula_title: <missing>
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pub_title:
 The crystal structure of joosteite, (Mn2+,Mn3+,Fe3+)2[PO4]O, from the Helikon II mine,
 Karibib (Namibia), and its relationship to stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O
 Note: M1 and M2 Fe/Mn occupancies not determined, below are estimates

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formula: (Ce.91 Y.09) Si O4
compound: Stetind pegmatite, Tysfjord, Norway
pub_title: The new mineral stetindite, CeSiO4, a cerium end-member of the zircon group
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formula: Ca9 Si3 O15
compound: <missing>
pub_title: Zur struktur von 3CaO*SiO2
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formula: Ag3 Sb S3
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pub_title: Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3
formula_title: <missing>
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formula: Mg O2 H2
compound: <missing>
pub_title: Neutronenbeugungsmessungen am Brucit _cod_database_code 1000054
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compound: <missing>
pub_title: Die struktur des heidornit Ca3Na2Cl(SO4)2B5O8(OH)2
formula_title: <missing>
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compound: <missing>
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formula: Ag3 Sb S3
compound: St. Andreasberg, Harz Mountains, Germany
pub_title: Die struktur des pyrostilpnits (feuerblende) Ag3SbS3
formula_title: <missing>
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c: 6.24
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formula: Na3 Pb2 S3 O12 Cl
compound: Caracoles, Chile
pub_title: Bestimmung einer uberstruktur am caracolit
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formula: Ca3 B2 O6
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formula: Fe Al2 P2 O18 H18
compound: <missing>
pub_title: The crystal structure of paravauxite, Fe2+Al2(PO4)2(OH)2(OH2)6*2H2O
formula_title: <missing>
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formula: (Mg.667 Al.333) O3 H3 C.167
compound: Vezna, Western Moravia
pub_title: Die struktur des hydrotalkits
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compound: Synthetic
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formula: Ca Al3 (P S) O14 H6
compound: Andalusite mine, Mono Co., California, USA
pub_title: The crystal structures of goyazite and woodhousite
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formula: Sr Al3 P2 O14 H7.02
compound: Palermo mine, North Groton, New Hampshire, USA
pub_title: The crystal structures of goyazite and woodhousite
formula_title: <missing>
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formula: Ca B2 O10 H12
compound: <missing>
pub_title: A structure proposal for the phase beta-CaB2O4*6H2O
formula_title: CaB2O4(H2O)6
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formula: Cu3 (As.85 Sb.15) S3
compound: <missing>
pub_title: Uber pearceit, polybasit und binnit
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formula: Pb Ag Sb3 S6
compound: <missing>
pub_title: Die kristallstruktur der pseudozelle (sub cell) von andorit VI (ramdohrit)
formula_title: <missing>
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formula: Ca.5 Zn P O5 H2
compound: Reaphook Hill, South Australia, Australia
pub_title: Scholzite and other phosphate minerals from Reaphook Hill, South Australia
formula_title: <missing>
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formula: Na Mg2 Fe5 S7 O67 H72
compound: La Alcaparros, Argentina
pub_title: Slavikit: kristallstruktur und chemische formel
formula_title: <missing>
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formula: K Mg Cl3 (O6 H12)
compound: Synthetic
pub_title: Die kristallstruktur des carnallits KMgCl3*6H2O
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formula: Pb3 Sb8 S15
compound: Baia Mare, Romania
pub_title: Die kristallstruktur von fuloppit Pb3Sb8S15
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formula: Cu Bi3 Pb S6
compound: Krupka, Ore Mountains, NW-Bohemia
formula_title: <missing>
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b: 11.51
c: 4.01
alpha: 90
beta: 90
gamma: 90
cell_volume: 514.629
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pub_title:
 The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9,
 and the classification of superstructures in the bismuthinite-aikinite group,

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formula: Bi5 Pb S9 Cu
compound: Krupka, Ore Mountains, NW-Bohemia
formula_title: <missing>
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b: 11.48
c: 4.00
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beta: 90
gamma: 90
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pub_title:
 The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9,
 and the classification of superstructures in the bismuthinite-aikinite group,

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formula: Na Mg2 Fe5 S7 O67 H72
compound: La Alcaparrosa, San Juan, Argentina
pub_title: Struktur und kristallchemie des slavikits, NaMg2Fe5(SO4)7(OH)6(H2O)33
formula_title: <missing>
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formula: Pb7 Sb8 S19
compound: <missing>
pub_title: Die kristallstruktur von heteromorphit Pb7Sb8S19
formula_title: <missing>
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b: 11.943
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formula: (Hg4.56 Cu.72 Zn.72) Tl As4 S12
compound: Getchell mine, Humboldt County, Nevada, USA
pub_title: Die kristallstruktur von galchait [Hg0.76(Cu,Zn)0.24]12Tl0.96(AsS3)8
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formula_title: <missing>
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pub_title:
 Crystal chemistry of the alunite series: crystal structure refinement of alunite
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 Note: none of the reported bond lengths can be reproduced

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pub_title:
 Crystal chemistry of the alunite series: crystal structure refinement of alunite
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 Note: none of the reported bond lengths can be reproduced

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pub_title:
 Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]-
 Note: z(Wat1) adjusted to match reported bond lengths

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formula: Fe Te2 O6 H
compound: Synthetic
pub_title: Verfeinerung der kristallstruktur von mackayite Fe(OH)[Te2O5]
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formula: K1.12 Ba.13 Ca.47 Na.13 (Al2.32 Si5.68) O20.86 H9.72
compound: in a vug of a lava from Cupaello, Rieti, Italy
pub_title: The crystal structure of the zeolite merlinoite
formula_title: <missing>
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beta: 90
gamma: 90
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formula: Cs2 Pt Cl4
compound: <missing>
pub_title: Kristallstrukturuntersuchung an Cs2PtCl4
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formula: Rb2 Pt Br4 (O H2)
compound: <missing>
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formula: Mn Al2 Si2 O10 H4
compound: Schlaggenwald, Bohemia
pub_title: Die kristallstruktur von karpholith (Mn0.97Mg0.08FeII0.07)(Al1.90FeIII0.01)Si2O6(OH)4
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formula: Ba.95 Sr.01 Al3 P2 O14 H6
compound: Glen Alice area, New South Wales, Australia
pub_title: Pseudo-trigonal symmetry and the structure of gorceixite
formula_title: <missing>
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beta: 90
gamma: 120
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formula: K2 Ca C2 O6
compound: <missing>
formula_title: <missing>
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b: 5.387
c: 18.16
alpha: 90
beta: 90
gamma: 120
cell_volume: 456.395
crystal_density: 2.601
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pub_title:
 Crystal structure refinements of buetschliite and eitelite:
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 Note: synthetic

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formula: Na2 Mg C2 O6
compound: <missing>
formula_title: <missing>
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c: 16.422
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gamma: 120
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pub_title:
 Crystal structure refinements of buetschliite and eitelite:
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 Note: synthetic

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formula: Ba Ca C2 O6
compound: Cave-in-Rock District, Illinois, USA
pub_title: Die kristallstruktur des minerals paralstonite, BaCa(CO3)2
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formula: Pb (Cu.99 Al1.62 Fe.39) S2 O14 H6
compound: Osarizawa mine, Akita Prefecture, Honshu, Japan
pub_title: The crystal structure of osarizawaite
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formula: Cu Sb.115 Sn.835
compound: Rio Tamana, Choco district, Colombia
pub_title: New data for stistaite and antimony-bearing n-Cu6Sn5 from Rio Tamana, Colombia
formula_title: <missing>
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formula: Bi V O4
compound: Hirschhorn, Pfalz, Germany
pub_title: Dreyerite: ein naturliches, tetragonales wismutvanadat von Hirschhorn/Pfalz
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formula: Ba Al3 P2 O14 H7
compound: New South Wales
pub_title: Refinement of gorceixite structure in Cm
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formula: (Na.58 K.42) Al3 S2 O14 H6
compound: Sonomi-dake, Makurazaki-city, Kagoshima Prefecture, Japan
pub_title: Crystal structure of natroalunite and crystal chemistry of the alunite group
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formula: Ca3 Al2 F8 O8 H6 S
compound: Tin mines of the Catavi (Llallagua) zone, Bolivia
formula_title: <missing>
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b: 8.606
c: 9.985
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 Structural analysis and refinement of Bolivian creedite, Ca3Al2F8(OH)2(SO4)*2(H2O):
 The role of the hydrogen atoms

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formula: Ca3 Al2 Si1.527 O12 H5.892
compound: Crestmore, Riverside County, California, USA
pub_title: Crystal structure refinement of plazolite: a highly hydrated natural hydrogrossular
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formula: Ce.707 Cu6 As3 O21 H12
compound: Clara mine, Black Forest, Baden-Wurttemberg, Germany
pub_title: Die kristallstruktur des chlorotils, SECu6(AsO4)3(OH)6*3H2O (SE = seltene erdmetalle)
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formula: (Mg1.63 Fe.37) Al6 Be O12
compound: Musgrave Ranges, Australia
formula_title: <missing>
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b: 5.683
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beta: 90
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pub_title:
 Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16,
 and musgravite, BeMg2Al6O12
 Note: formerly known as musgravite-18R

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formula: Mg1.25 Fe.47 Zn.28 Al6 Be O12
compound: Casey Bay, Antarctica
formula_title: <missing>
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pub_title:
 Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16,
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 Note: formerly known as musgravite-18R

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formula: Mg3 Al8 Be O16
compound: Miriella Village, Ratnapura, Sri Lanka
formula_title: <missing>
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b: 5.6867
c: 18.3370
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16,
 and musgravite, BeMg2Al6O12
 Note: formerly known as taaffeite-8H

atoms_sites:
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formula: (Mg.866 Fe.134) Al2 P2 O10 H2
compound: Graves Mountain, Lincoln County, Georgia, USA
pub_title: Lazulite, (Mg,Fe)Al2(OH)2(PO4)2: structure refinement and hydrogen bonding
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formula: Ca1.01 Na.226 K.164 (Si8.844 Al3.156) O24
compound: Wasson's Bluff, Two Island, Nova Scotia, Canada
formula_title: <missing>
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b: 9.4012
c: 9.4012
alpha: 94.364
beta: 94.364
gamma: 94.364
cell_volume: 823.285
crystal_density: 1.552
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pub_title:
 The tetrahedral framework of chabazite
 Note: Occupancies invented to match formula and refinement
 Sample: C 1a, trigonal refinement

atoms_sites:
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formula: Ca1.01 Na.226 K.164 Si8.821 Al3.166 O24
compound: Wasson's Bluff, Two Island, Nova Scotia, Canada
formula_title: <missing>
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b: 9.3955
c: 9.4012
alpha: 94.337
beta: 94.269
gamma: 94.403
cell_volume: 823.601
crystal_density: 1.551
pub_title:
 The tetrahedral framework of chabazite
 Note: Occupancies invented to match formula and refinement
 Sample: C 1a, triclinic refinement

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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compound: Richmond, Melbourne, Victoria, Australia
formula_title: <missing>
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b: 9.4376
c: 9.4376
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beta: 94.137
gamma: 94.137
cell_volume: 833.685
crystal_density: 1.533
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atoms_aniso_label: ["NaX1", "CaX1", "KX1", "Si", "Al", "O1", "O2", "O3", "O4"]
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pub_title:
 The tetrahedral framework of chabazite
 Note: Occupancies invented to match formula and refinement
 Sample: C 4a, trigonal refinement

atoms_sites:
["NaX1", "CaX1", "KX1", "NaX2", "CaX2", "KX2", "NaX3", "CaX3", "KX3", "NaX4", "CaX4", "KX4", "Si", "Al", "O1", "O2", "O3", "O4"]

qdat:
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formula: Na.84 Ca.581 K.269 (Si7.984 Al4.016) O24
compound: Richmond, Melbourne, Victoria, Australia
formula_title: <missing>
a: 9.4410
b: 9.4344
c: 9.4375
alpha: 94.214
beta: 94.080
gamma: 94.104
cell_volume: 833.707
crystal_density: 1.533
pub_title:
 The tetrahedral framework of chabazite
 Note: Occupancies invented to match formula and refinement
 Note: This structure matches the reported bond lengths for C 4b, not C 4a
 Sample: C 4a, triclinic refinement

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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formula: Na4 (Ca.5 Mn.5) Si6 O16 H2
compound: Ilimaussaq alkaline intrusion, South Greenland
formula_title: <missing>
a: 10.213
b: 15.878
c: 9.058
alpha: 90
beta: 90
gamma: 90
cell_volume: 1468.864
crystal_density: 2.559
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atoms_aniso_label: ["Na1", "Na2", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Crystal structure of kvanefjeldite: The introduction of [Si3O7OH]
 layers with eight-membered rings

atoms_sites:
["Na1", "Na2", "Ca", "Mn", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H"]

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formula: (Al1.548 Mg.452) Na.41 F4.578 O2.258 H3.094
compound: Ivigtut, Greenland
pub_title: Ralstonite: a contribution to the knowledge of composition and crystal structure
formula_title: <missing>
a: 9.91
b: 9.91
c: 9.91
alpha: 90
beta: 90
gamma: 90
cell_volume: 973.242
crystal_density: 2.572
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atoms_aniso_label: ["Al", "Mg", "Na", "F", "O-H", "Ow"]
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formula: (Fe.89 Mn.11) Al P O7 H4
compound: Tavistock, SW England
formula_title: <missing>
a: 10.395
b: 13.394
c: 6.918
alpha: 90
beta: 90
gamma: 90
cell_volume: 963.198
crystal_density: 3.168
atoms_sites: ["Fe", "Mn", "Al", "P", "O1", "O2", "O3", "O4", "O4a", "O5", "O5a", "H1", "H2", "H3", "H4"]
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pub_title:
 The crystal structure of childrenite from Tavistock (SW England),
 Ch89Eo11 term of childrenite-eosphorite series
 Note: this is the prefered model

qdat:
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formula: (Fe.89 Mn.11) Al P O5 H3
compound: Tavistock, SW England
formula_title: <missing>
a: 10.395
b: 13.394
c: 6.918
alpha: 90
beta: 90
gamma: 90
cell_volume: 963.198
crystal_density: 2.713
atoms_sites: ["Fe", "Mn", "Al", "P", "O1", "O2", "O3", "O4", "O5", "H1", "H2", "H3"]
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pub_title:
 The crystal structure of childrenite from Tavistock (SW England),
 Ch89Eo11 term of childrenite-eosphorite series
 Note: this is not the preferred model

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formula: Mn V O3.5
compound: <missing>
pub_title: Possible disorder in the thortveitite-type Mn2V2O7 structure Note: split atom model
formula_title: Mn2V2O7
a: 6.719
b: 8.719
c: 4.966
alpha: 90
beta: 103.60
gamma: 90
cell_volume: 282.766
crystal_density: 3.802
atoms_sites: ["Mn", "V", "O1", "O2", "O3"]
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formula: Mn2 V2 O7
compound: <missing>
pub_title: Possible disorder in the thortveitite-type Mn2V2O7 structure
formula_title: Mn2V2O7
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b: 8.719
c: 4.966
alpha: 90
beta: 103.60
gamma: 90
cell_volume: 282.766
crystal_density: 3.802
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formula: Na.85 Ca.04 Al7.53 Li.42 Mn.93 Si6 B3 (O31 H4)
compound: Zambia
pub_title: Structural refinement of tsilaisite (manganese tourmaline)
formula_title: <missing>
a: 15.916
b: 15.916
c: 7.130
alpha: 90
beta: 90
gamma: 120
cell_volume: 1564.185
crystal_density: 3.119
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pub_title: Crystal structure refinement of two tetragonal edingtonites
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compound: Old Kilpatrick, Dumbartonshire, Scotland
pub_title: Crystal structure refinement of two tetragonal edingtonites
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compound: Tsumeb, Namibia
pub_title: Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
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compound: <missing>
pub_title: Chabazite-type framework in the new zeolite willhendersonite, KCaAl3Si3O12*5H2O
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formula: (Na2.31 Ca.69) Mn3 (Ti1.4 Zr.6) Si4 O16 F2
compound: <missing>
pub_title: The crystal structure of janhaugite, a sorosilicate of the cuspidine family
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formula: Cu3 Mo2 O10 H2
compound: Chuquicamata, Chile
pub_title: Refinement of the crystal structure of lindgrenite
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formula: Na4.53 K11.47 Al16 Si16 O64
compound: Somma-Vesuvius area, Italy
formula_title: <missing>
a: 20.4960
b: 20.4960
c: 8.549
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pub_title:
 The crystal structure of panunzite (natural tetrakalsilite)
 Note: x(O7) and y(O11) adjusted to match reported bond lengths

atoms_sites:
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formula: Si2 Al2 O9 H4
compound: Kilantyubinsk mine, USSR
formula_title: <missing>
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b: 8.9178
c: 14.389
alpha: 90
beta: 96.74
gamma: 90
cell_volume: 654.679
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pub_title:
 The orientation of the hydroxyl groups in dickite by X-ray diffraction
 Note: z-coordinate of Si1 altered to reproduce reported bond lengths

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compound: Likasi Mine, Zaire
formula_title: <missing>
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gamma: 90
cell_volume: 857.547
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atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "N", "O1", "O2", "O3", "O-H1", "O-H2", "O-H3", "Wat1", "Wat2"]
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pub_title:
 Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and
 redetermination of the crystal structure

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formula: Ca Sn B2 O6
compound: Stiepelman mine, SW Africa
pub_title: The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
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formula: Mg12.1 Al.6 Fe.3 B6 O26 H8 Cl.8
compound: Tauern Window, Schleigeistal, Zillertaler, Alpen, Austria
pub_title: Karlite: crystal structure and chemical composition
formula_title: <missing>
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b: 17.967
c: 3.1040
alpha: 90
beta: 90
gamma: 90
cell_volume: 983.608
crystal_density: 2.851
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atoms_sites:
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formula: Al3 Mg6 Na.667 S1.333 O33.333 H30
compound: the Emile Baudot bank, western Mediterranean
pub_title: Contribution to the superstructure resolution of the double layer mineral motukoreaite
formula_title: <missing>
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b: 9.172
c: 33.51
alpha: 90
beta: 90
gamma: 120
cell_volume: 2441.367
crystal_density: 1.731
atoms_sites: ["Al1", "Mg2", "Al3", "Na", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H1", "H2", "H3"]
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formula: Ca Mg5 P3 O16 C H
compound: Tingelstadtjern serpentine-magnesite deposit, Modum, Norway
pub_title: The crystal structure of heneuite, CaMg5(CO3)(PO4)3(OH)
formula_title: <missing>
a: 6.311
b: 10.843
c: 8.676
alpha: 95.01
beta: 93.41
gamma: 101.04
cell_volume: 578.721
crystal_density: 3.004
atoms_occupancy: 0
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atoms_sites:
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formula: Ca Mg U C3 O23 H24
compound: Synthetic
formula_title: <missing>
a: 11.080
b: 14.634
c: 6.439
alpha: 90
beta: 99.43
gamma: 90
cell_volume: 1029.941
crystal_density: 2.356
atoms_occupancy: 0
pub_title:
 Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue,
 SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures

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