# cif

formula: Na Ca Mn2 P3 O12 H2
compound: Tanco Pegmatite, Bernic Lake, Manitoba, Canada
formula_title: <missing>
a: 12.5435
b: 12.4324
c: 6.7121
alpha: 90
beta: 115.332
gamma: 90
cell_volume: 946.075
crystal_density: 3.229
atoms_sites: ["NaA2", "CaM1", "MnM2", "PT1", "PT2", "O1", "O2", "O3", "O-h4", "O5", "O6", "H"]
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atoms_occupancy: 0
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atoms_aniso_label: ["NaA2", "CaM1", "MnM2", "PT1", "PT2", "O1", "O2", "O3", "O-h4", "O5", "O6"]
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pub_title:
 Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group
 from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and
 crystal structure

qdat:
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formula: Pb1.09 N2.9 Cl4.86 Br.24 H12
compound: La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 8.4351
b: 15.7732
c: 8.4446
alpha: 90
beta: 90
gamma: 90
cell_volume: 1123.542
crystal_density: 2.779
atoms_x: aDMFAGgzBQBgLN3/YCzd/3CK8f9wivH/YOn8/2Dp/P8IPAcAoMfy/8Bo4f8QyOH/QFTa/3Dn7v/w7/f/0Bbx/xCG7P8=
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atoms_aniso_label: ["Pb", "N", "N1", "Pb1", "N2", "Pb2", "Cl1", "Br1", "Cl2", "Cl3"]
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pub_title:
 Brontesite, (NH4)3PbCl5, a new product of fumarolic activity from La Fossa Crater,
 Vulcano, Aeolian Islands, Italy

atoms_sites:
["Pb", "N", "N1", "Pb1", "N2", "Pb2", "Cl1", "Br1", "Cl2", "Cl3", "H11", "H12", "H13", "H21", "H22", "H23", "H24"]

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formula: Ca C O3
compound: Italy
pub_title: The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: SXTL
formula_title: <missing>
a: 4.96062
b: 7.97006
c: 5.74181
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.011
crystal_density: 2.928
atoms_sites: ["Ca", "C", "O1", "O2"]
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formula: Ca C O3
compound: Italy
formula_title: <missing>
a: 4.96062
b: 7.97006
c: 5.74181
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.011
crystal_density: 2.928
atoms_sites: ["Ca", "C", "O1", "O2"]
atoms_x: QEIPAEBCDwBAQg8A4P0cAA==
atoms_y: sFQZAAB8LgBARjgAgKYpAA==
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atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
 Linear structural trends
 Note: HRPXRD

qdat:
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formula: Ca C O3
compound: Spain
formula_title: <missing>
a: 4.96174
b: 7.96918
c: 5.74265
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.070
crystal_density: 2.928
atoms_sites: ["Ca", "C", "O1", "O2"]
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atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
 Linear structural trends
 Note: HRPXRD

qdat:
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formula: Sr C O3
compound: Synthetic
pub_title: The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends
formula_title: <missing>
a: 5.107499
b: 8.413820
c: 6.026924
alpha: 90
beta: 90
gamma: 90
cell_volume: 258.999
crystal_density: 3.786
atoms_sites: ["Sr", "C", "O1", "O2"]
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qdat:
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formula: Pb C O3
compound: Synthetic
pub_title: The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends
formula_title: <missing>
a: 5.18324
b: 8.49920
c: 6.14746
alpha: 90
beta: 90
gamma: 90
cell_volume: 270.816
crystal_density: 6.554
atoms_sites: ["Pb", "C", "O1", "O2"]
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qdat:
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formula: Ba C O3
compound: Synthetic
formula_title: <missing>
a: 5.31459
b: 8.90428
c: 6.43409
alpha: 90
beta: 90
gamma: 90
cell_volume: 304.478
crystal_density: 4.305
atoms_sites: ["Ba", "C", "O1", "O2"]
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pub_title:
 The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
 Linear structural trends
 Note: HRPXRD

qdat:
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formula: Ba C O3
compound: Synthetic
formula_title: <missing>
a: 5.31640
b: 8.9056
c: 6.43383
alpha: 90
beta: 90
gamma: 90
cell_volume: 304.614
crystal_density: 4.303
atoms_sites: ["Ba", "C", "O1", "O2"]
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pub_title:
 The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
 Linear structural trends
 Note: Neutron

qdat:
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formula: Pb3.436 Sb5.215 Ag1.486 S12
compound: Van Silver mine, Squamish, British Columbia, Canada
formula_title: <missing>
a: 19.2767
b: 13.2345
c: 8.7230
alpha: 90
beta: 90.401
gamma: 90
cell_volume: 2225.335
crystal_density: 5.647
pub_title:
 Structure refinement of an untwinned single crystal of Ag-excess fizelyite,
 Ag5.94Pb13.74Sb20.84S48

atoms_sites:
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formula: Fe Ti Si2
compound: Luobusha, Tibet, China
pub_title: Zangboite, TiFeSi2, a new mineral species from Luobusha, Tibet, China, and its crystal structure
formula_title: <missing>
a: 8.6053
b: 9.5211
c: 7.6436
alpha: 90
beta: 90
gamma: 90
cell_volume: 626.255
crystal_density: 5.088
atoms_sites: ["Fe1", "Fe2", "Ti1", "Ti2", "Si1", "Si2", "Si3", "Si4", "Si5"]
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qdat:
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formula: K1.8 Cs.04 Na Mn1.98 Fe4.6 (Nb1.46 Ti.54) (Si7.76 Al.24) O30.86 F.13 H4.13
compound: Seal Lake, Labrador, Canada
formula_title: <missing>
a: 5.4022
b: 11.8844
c: 11.6717
alpha: 112.990
beta: 94.588
gamma: 103.166
cell_volume: 659.655
crystal_density: 3.400
pub_title:
 The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich
 astrophyllite: Revisions to the crystal chemistry of the
 astrophyllite-group minerals

atoms_sites:
["KA", "CsA", "NaB", "MnM1", "FeM1", "MnM2", "FeM2", "Fe2+M3", "MnM3", "Fe3+M3", "Fe2+M4", "Fe3+M4", "MnM4", "NbD", "TiD", "SiT1", "AlT1", "SiT2", "AlT2", "SiT3", "AlT3", "SiT4", "AlT4", "O1", "O2", "O3", "O-h4", "O-h5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "OX", "O-HX", "FX", "H1", "H2"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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atoms_aniso_label:
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atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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compound: Dara-i-Pioz glacier, Tien-Shan mountains, northern Tajikistan
formula_title: <missing>
a: 5.3850
b: 11.9350
c: 11.7793
alpha: 113.117
beta: 94.614
gamma: 103.075
cell_volume: 666.002
crystal_density: 3.612
formula:
Cs1.42 K.36 Ca.35 Pb.06 Na.79 Sr.02 Mn3.74 Li.67 Fe1.98 Zn.5 Mg.11 (Ti1.54 Nb.46) (Si7.92 Al.08) O30.29 F.71 H4.29

pub_title:
 The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich
 astrophyllite: Revisions to the crystal chemistry of the
 astrophyllite-group minerals

atoms_sites:
["CsA1", "KA1", "KA2", "CaA2", "PbA2", "NaA2", "SrA2", "NaB", "CaB", "MnM1", "LiM1", "FeM2", "MnM2", "LiM2", "MnM3", "Fe2+M3", "Fe3+M3", "LiM3", "ZnM4", "FeM4", "MgM4", "LiM4", "TiD", "NbD", "SiT1", "AlT1", "SiT2", "AlT2", "SiT3", "AlT3", "SiT4", "AlT4", "O1", "O2", "O3", "O-h4", "O-h5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O-HX", "FX", "H1", "H2"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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compound: Zomba-Malosa pegmatite, Monte Malosa, Zomba, Malawi
formula_title: <missing>
a: 5.3866
b: 11.8821
c: 11.6794
alpha: 113.019
beta: 94.578
gamma: 103.120
cell_volume: 658.092
crystal_density: 3.481
formula:
K1.7 Ca.16 Pb.02 Cs.02 Na.96 Fe6.46 Mn.44 Zn.02 (Ti.74 Sn.62 Nb.44 Zr.16 Ta.02 Mg.02) (Si7.84 Al.16) O30.35 (F.65 H.35)

pub_title:
 The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich
 astrophyllite: Revisions to the crystal chemistry of the
 astrophyllite-group minerals

atoms_sites:
["KA1", "KA2", "CaA2", "PbA2", "KA3", "CsA3", "NaB", "CaB", "FeM1", "MnM1", "CaM1", "FeM2", "MnM2", "CaM2", "Fe2+M3", "Fe3+M3", "MnM3", "Fe2+M4", "Fe3+M4", "ZnM4", "TiD", "SnD", "NbD", "ZrD", "TaD", "MgD", "SiT1", "AlT1", "SiT2", "AlT2", "SiT3", "AlT3", "SiT4", "AlT4", "O1", "O2", "O3", "O-h4", "O-h5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O-HX", "FX"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: Ca3.19 Na2.07 Ce1.22 (Nb.55 Ti.45) Si4 O15 (F3 H)
compound: Rouma Island, Los Archipelago, Guinea
formula_title: <missing>
a: 7.473
b: 11.294
c: 18.778
alpha: 90
beta: 101.60
gamma: 90
cell_volume: 1552.494
crystal_density: 3.548
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:
 Roumaite, (Ca,Na)3(Ca,REE,Na)4(Nb,Ti)[Si2O7]2(OH)F3, from Rouma Island,
 Los Archipelago, Guinea: A new mineral species related to dovyrenite

atoms_sites:
["CaM2", "NaM2", "CaM3", "NaM3", "NaM4", "CaM4", "CeM5", "NaM5", "CaM6", "CeM6", "NaM6", "CaM7", "CeM7", "NaM7", "CaM8", "CeM8", "NaM8", "NbM1", "TiM1", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "F1", "O-H1", "F2", "O-H2", "F3", "O-H3", "F4", "O-H4"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: Ba6 P2 O41 C Fe9 Si8 H4
compound: Big Creek, eastern Fresno County, California
formula_title: <missing>
a: 5.3437
b: 11.6726
c: 14.680
alpha: 91.337
beta: 96.757
gamma: 103.233
cell_volume: 883.961
crystal_density: 4.293
pub_title:
 Devitoite, a new heterophyllosilicate mineral with
 astrophyllite-like layers from eastern Fresno County, California

atoms_sites:
["Ba1", "Ba2", "Ba3", "P", "O16", "O17", "O18", "O19", "C", "O20", "O21", "O22", "Fe1", "Fe2", "Fe3", "Fe4", "Fe5", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O-H4", "O-H5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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qdat:
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formula: Li Ti2 Si4 O15 H6
compound: Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia
formula_title: <missing>
a: 26.688
b: 8.7568
c: 5.2188
alpha: 90
beta: 91.189
gamma: 90
cell_volume: 1219.379
crystal_density: 2.512
atoms_sites: ["Li", "Ti", "Si1", "Si2", "O1", "O-H2", "O3", "O4", "O5", "O6", "Wat6", "O7", "Wat8"]
atoms_x: AAAAAJAkCgCgaQUAyGMQAJirDABI5wcAOIQRAIC+EQDgaAcAoOoBAKDqAQBALQYAsPgBAA==
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atoms_u_iso: QH4FALDlAADAAAMA4KsAAMDBAABAGQEAYAMBALDlAACQwwEAANYGAADWBgAgKgYAIJsIAA==
atoms_aniso_label: ["Li", "Si1", "Si2", "O1", "O-H2", "O3", "O4", "O5", "O6", "Wat6", "O7"]
atoms_aniso_u11: 4PYAALDZAgCw5QAAYOoAAEAZAQBgZwEAAPoAAMDUAQAA7gIAAO4CAADWBgA=
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atoms_aniso_u23: sDYAABAnAAAgAwAAwBIAAJC2//9QFAAAwMf//8BdAADA4P//wOD//6D9AgA=
pub_title:
 Punkaruaivite, LiTi2[Si4O11(OH)]2*H2O, a new mineral species from hydrothermal
 assemblages, Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia

qdat:
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formula: K Sr Sc Si2 O7
compound: Synthetic
pub_title: The crystal structures of three new complex silicates of scandium
formula_title: KSrScSi2O7
a: 9.446
b: 5.478
c: 12.537
alpha: 90
beta: 104.39
gamma: 90
cell_volume: 628.377
crystal_density: 3.592
atoms_sites: ["K", "Sr", "Sc", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: cAUIABBaJwAIRy4AAE4bAMh+OwBwrBUAADgYABALJgBgIhkAAOIEAHBvNABAOTYA
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atoms_occupancy: 0
atoms_u_iso: KBMBANCiAAAwZgAAeGkAAOBlAADgqwAA0LYAACCZAABwrQAAkLAAAKC+AACgjAAA
atoms_aniso_label: ["K", "Sr", "Sc", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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qdat:
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formula: Na Ba Sc Si2 O7
compound: Synthetic
pub_title: The crystal structures of three new complex silicates of scandium
formula_title: NaBaScSi2O7
a: 6.845
b: 5.626
c: 8.819
alpha: 90
beta: 109.33
gamma: 90
cell_volume: 320.474
crystal_density: 3.870
atoms_sites: ["Na", "Ba", "Sc", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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atoms_aniso_label: ["Na", "Ba", "Sc", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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qdat:
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formula: Rb Ba Sc Si3 O9
compound: Synthetic
pub_title: The crystal structures of three new complex silicates of scandium
formula_title: RbBaScSi3O9
a: 6.957
b: 10.199
c: 11.881
alpha: 90
beta: 90.07
gamma: 90
cell_volume: 843.009
crystal_density: 3.908
atoms_sites: ["Rb", "Ba", "Sc", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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qdat:
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formula: K.716 (Na2.88 Ca.12) Al4 Si4 O16
compound: Egan Chute, Bancroft area, Ontario, Canada
formula_title: <missing>
a: 9.99567
b: 9.99567
c: 8.37777
alpha: 90
beta: 90
gamma: 120
cell_volume: 724.908
crystal_density: 2.636
atoms_sites: ["K", "Na", "Ca", "Al1", "Al2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
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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:
 Nepheline: structure of three samples from the Bancroft area, Ontario,
 obtained using synchrotron high-resolution powder x-ray diffraction
 Sample: 1b

qdat:
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formula: K.92 Na3 Al4 Si4 O16
compound: Nephton, Bancroft area, Ontario, Canada
formula_title: <missing>
a: 10.00215
b: 10.00215
c: 8.38742
alpha: 90
beta: 90
gamma: 120
cell_volume: 726.684
crystal_density: 2.656
atoms_sites: ["K1", "Na1", "Al1", "Al2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Nepheline: structure of three samples from the Bancroft area, Ontario,
 obtained using synchrotron high-resolution powder x-ray diffraction
 Sample: 2

qdat:
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formula: K.778 Na3 Al4 Si2 O18
compound: Davis Hill, Bancroft area, Ontario, Canada
formula_title: <missing>
a: 9.99567
b: 9.99567
c: 8.37873
alpha: 90
beta: 90
gamma: 120
cell_volume: 724.991
crystal_density: 2.526
atoms_sites: ["K1", "Na1", "Al1", "Al2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: AAAAAIgWGwCrsCgAEJAUAKuwKAAQLBQA0HwrAOBSEwAgXB8AMLUfAPBAEAAgTBEA
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pub_title:
 Nepheline: structure of three samples from the Bancroft area, Ontario,
 obtained using synchrotron high-resolution powder x-ray diffraction
 Sample: 3

qdat:
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formula: Ca4 B16 O59 H62
compound: Santa Rosa mine, Sijes, Salta, Argentina
formula_title: <missing>
a: 12.161
b: 40.477
c: 10.1843
alpha: 90
beta: 90
gamma: 90
cell_volume: 5013.128
crystal_density: 1.775
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structure of alfredstelznerite, Ca4(H2O)4[B4O4(OH)6]4(H2O)15,
 a complex hydroxy-hydrated calcium borate mineral

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "B1", "B2", "B3", "B4", "B5", "B6", "B7", "B8", "B9", "B10", "B11", "B12", "B13", "B14", "B15", "B16", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O-H17", "O-H18", "O-H19", "O-H20", "O-H21", "O-H22", "O-H23", "O-H24", "O-H25", "O-H26", "O-H27", "O-H28", "O-H29", "O-H30", "O-H31", "O-H32", "O-H33", "O-H34", "O-H35", "O-H36", "O-H37", "O-H38", "O-H39", "O-H40", "Wat41", "Wat42", "Wat43", "Wat44", "Wat45", "Wat46", "Wat47", "Wat48", "Wat49", "Wat50", "Wat51", "Wat52", "Wat53", "Wat54", "Wat55", "Wat56", "Wat57", "Wat58", "Wat59"]

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formula: (As.886 Sb.114) Ag6.979 Cu.021 S6
compound: North Lily mine, East Tintic district, Utah, USA
pub_title: The crystal structure of billingsleyite, Ag7(As,Sb)S6, a sulfosalt containing As5+
formula_title: <missing>
a: 10.4760
b: 10.4760
c: 10.4760
alpha: 90
beta: 90
gamma: 90
cell_volume: 1149.705
crystal_density: 5.932
atoms_sites: ["As", "Sb", "Ag1", "Cu1", "Ag2", "Ag3", "S1", "S2", "S3", "S4"]
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atoms_u_iso: oDsBAKA7AQBgNQEAYDUBAEBLAQAQUwEA0EwBANBMAQAwVgEAkHgBAA==
atoms_aniso_label: ["As", "Sb", "Ag1", "Cu1", "Ag2", "Ag3", "S1", "S2", "S3", "S4"]
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qdat:
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formula: Cu1.98 Ag Pb Bi S4
compound: Angela mine, Los Manantiales district, Chubut province, Argentina
pub_title: The crystal structure of angelaite, Cu2AgPbBiS4
formula_title: <missing>
a: 12.734
b: 4.032
c: 14.633
alpha: 90
beta: 90
gamma: 90
cell_volume: 751.309
crystal_density: 6.879
atoms_sites: ["Cu1", "Cu2a", "Cu2b", "Ag", "Pb", "Bi", "S1", "S2", "S3", "S4"]
atoms_x: 4IYbAOBT/v9AN/z/gC4LAJBiDQD4HAQAYLEWAOATEQCQWgYAALX//w==
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qdat:
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formula: Pb Bi2 S4
compound: Angela mine, Los Manantiales district, Chubut province, Argentina
pub_title: The crystal structure of angelaite, Cu2AgPbBiS4
formula_title: <missing>
a: 11.742
b: 4.0814
c: 14.522
alpha: 90
beta: 90
gamma: 90
cell_volume: 695.949
crystal_density: 7.191
atoms_sites: ["Pb", "Bi1", "Bi2", "S1", "S2", "S3", "S4"]
atoms_x: CC8PAMgkBADYUwYAUEsUAODnDwAAOQMAYBwBAA==
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atoms_occupancy: 0
atoms_u_iso: sJQBADAkAQDAVwEAcEMBAPAEAQBQDgEA0AEBAA==
atoms_aniso_label: ["Pb", "Bi1", "Bi2", "S1", "S2", "S3", "S4"]
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formula: Cs.553 K.332 Al4 B10.8 Be4.84 O28
compound: Ministerskaya Yama Pit, Sarapulka pegmatite field, Russia
formula_title: <missing>
a: 7.3149
b: 7.3149
c: 7.3149
alpha: 90
beta: 90
gamma: 90
cell_volume: 391.404
crystal_density: 3.406
atoms_sites: ["Cs", "K", "Al", "B", "Be*", "Be", "O1", "O2", "O3"]
atoms_x: gIQeAIATHADgdzQAgIQeAICEHgBwvQ4AkDsHADCXJABARRYA
atoms_y: gIQeAIATHADgdzQAoKotAKCqLQCQSy4AcM01ABizNADAwyYA
atoms_z: gIQeAIATHADgdzQAAAAAAAAAAACQSy4AcM01ABizNADA9DYA
atoms_occupancy: oMAhAOAQBQAACT0AgO42AIAaBgDAijcAAAk9AAAJPQAACT0A
atoms_u_iso: IOQAACDkAAAAMgAAUC0AAFAtAAAgTgAAgD4AAJAzAACAPgAA
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:
 Londonite from the Urals, and new aspects of the crystal chemistry
 of the rhodozite-londonite series,
 Note: sample FMM-32135

qdat:
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formula: Na2 Ca4 Be6 Si8 O32 H10
compound: Larvik plutonic complex, Oslo Region, Norway
formula_title: <missing>
a: 7.1222
b: 19.8378
c: 9.8071
alpha: 90
beta: 111.287
gamma: 90
cell_volume: 1291.096
crystal_density: 2.591
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:
 Alflarsenite: Structure and relationship to other Be-Si
 and zeolite framework structures
 Note: x-coordinate for O7 changed by authors

atoms_sites:
["Na1", "Na2", "Ca1", "Ca2", "Ca3", "Ca4", "Be1", "Be2", "Be3", "Be4", "Be5", "Be6", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "Si8", "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", "O-H27", "O-H28", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: Na7.2 Sr10.8 Ba2 Zr13 Si40.5 B4.5 O144.72 H31.44
compound: Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 26.509
b: 26.509
c: 9.975
alpha: 90
beta: 90
gamma: 120
cell_volume: 6070.581
crystal_density: 3.340
pub_title:
 Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24�18H2O,
 a new mineral species from Mont Saint-Hilaire, Quebec:
 Description, structure determination and relationship with HFSE-bearing cyclosilicates

atoms_sites:
["Na1", "Sr1", "Na1", "Sr2", "Na2", "Ba", "Zr1", "Zr2", "Zr3", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "B1", "Si1", "B2", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O-H23", "O-H24", "Wat25", "Wat26", "Wat27"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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atoms_aniso_u11:

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atoms_aniso_u13:

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qdat:
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formula: K2.92 Na2.44 (Fe1.74 Mn1.36 Ti.76 Mg.14) Si8 O28 H12
compound: the Khibina Alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 10.1978
b: 12.0155
c: 5.2263
alpha: 103.439
beta: 96.020
gamma: 91.683
cell_volume: 618.460
crystal_density: 2.864
pub_title:
 Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the
 Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure

atoms_sites:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
["K(1)", "K(2)", "Na(1)", "Na(2)", "Fe2+M", "Mn2+M", "TiM", "MgM", "Si(1)", "Si(2)", "Si(3)", "Si(4)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)", "O(9)", "O(10)", "O(11)", "O(12)", "O(13)", "O(14A)", "O(14B)"]

atoms_aniso_u11:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Na7.561 K.36 Si6 Al6 O30.48 C H6.96
compound: the Khibina Alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 12.6678
b: 12.6678
c: 10.3401
alpha: 90
beta: 90
gamma: 120
cell_volume: 1437.003
crystal_density: 2.369
pub_title:
 Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species
 from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure

atoms_sites:
["Na1", "Na2", "Na3", "Na4", "K4", "Si1", "Al1", "Si2", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "C", "O9", "Wat10", "Wat11", "Wat12"]

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:
["Na1", "Na2", "Na3", "Na4", "K4", "Si1", "Al1", "Si2", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "C", "O9", "Wat10", "Wat11", "Wat12"]

atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: (N2.601 K.399) H10.404 (Fe.893 Al.107) S3 O12
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 15.2171
b: 15.2171
c: 8.9323
alpha: 90
beta: 90
gamma: 120
cell_volume: 1791.256
crystal_density: 2.244
atoms_sites: ["N", "K", "H1", "H2", "H3", "H4", "Fe", "Al", "S", "O1", "O2", "O3", "O4"]
atoms_x: iL4EAIi+BABg5AEAoOUGAEAHBAAA1gYAAAAAAAAAAACoUgoA4E8HAGCLBQCgiQ0AAI0OAA==
atoms_y: sGoSALBqEgDgvBIAwN8UAIDkDgCAQxQAAAAAAAAAAAD4uAgAYLMFAGg7BwBAWw8AgOIGAA==
atoms_z: iMMOAIjDDgAAHRAAoFAKAGCiDADgthMAQGwIAEBsCADAaRcAcNQfAMBIEACA2hgAMGEUAA==
atoms_occupancy: 4Oo0ACAeCADg6jQA4Oo0AODqNADg6jQAIIE2AOCHBgAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: IPcBACD3AQDgmQMAYN4CACCzBADgjQUA2P4AANj+AAC4PAEAEJIDADDTAQDQOgQAoHQEAA==
atoms_aniso_label: ["N", "K", "Fe", "Al", "S", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: MOwBADDsAQBIKgEASCoBAMDuAABgYQIAAFgCAMB3BACQIQMA
atoms_aniso_u22: QPoBAED6AQBIKgEASCoBAGA/AQCw5gQAwIkBAOBzAQBgjgcA
atoms_aniso_u33: oAMCAKADAgAwpwAAMKcAAFAnAQCAHwEAgFEBAFAuBACQZgQA
atoms_aniso_u12: sP4AALD+AAAQlQAAEJUAAFhDAABQFAAA4MQAANCK//+g9wMA
atoms_aniso_u13: 0O7//9Du//8AAAAAAAAAAGAJAAAwQwAAkGv//8AF/v9gYP7/
atoms_aniso_u23: AEsAAABLAAAAAAAAAAAAADDf//9AGQEA4Mr//wAG///g3Pz/
pub_title:
 Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate
 from La Fossa crater, Vulcano, Aeolian Islands, Italy

qdat:
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formula: Na Al2 S4 Cl N4 O18 H18
compound: La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 18.118
b: 18.118
c: 11.320
alpha: 90
beta: 90
gamma: 90
cell_volume: 3715.925
crystal_density: 2.155
atoms_sites: ["Na", "Al", "S", "Cl", "N", "O1", "O2", "O3", "O4", "O5", "H1", "H2", "H3", "H4", "H5"]
atoms_x: gIQeAHB9EgAw8BYAgIQeALixEwCILhcAMDoTADAyFgAYShsACAEQANBjEgBQcRYAcDUUALBNEQBw+wwA
atoms_y: QEIPALC/IQAwZxgAQEIPANhGDgCQYR0A4GgWAEDpFwDAfhYAgIQeANBQEQCgag4AMKoMAMB5DACAhB4A
atoms_z: IKEHACChBwCYaQgAYOMWAND6FgB4vQYAAGUEAAhREABQlQYAQEIPALDYFwDgARQA4J8bADAvFABAQg8A
atoms_occupancy: 0
atoms_u_iso: QAABALDlAADwBAEA0OIBAFCkAQAQIQEA8MwBAHAqAQCAtQEAUPUAAIAaBgDAqggAoN8HAKBKCwCAtQEA
atoms_aniso_label: ["Na", "Al", "S", "Cl", "N", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: 4N0AAMDzAADAJQEAAPQBABA0AgBQJwEAwAYCAABeAQAQngEAcN8AAA==
atoms_aniso_u22: 4N0AAMDzAACQFAEAAPQBABBTAQBg6gAAQK8BAHBDAQBArwEAkPsAAA==
atoms_aniso_u33: kEYBAHDGAACA1AAA4L4BANBlAQCAUQEAQK8BAHDfAADA1AEA0AEBAA==
atoms_aniso_u12: AAAAAMD5///AKwAAABkAAHB7AADwCgAAoN3///A8AABQwwAAAAAAAA==
atoms_aniso_u13: AAAAAPAKAABgCQAAAAAAAPBuAACAPgAA4DT//yBOAADAwQAAAAAAAA==
atoms_aniso_u23: AAAAAPAKAACw6///AAAAAMASAABwMAAAsIf//6AoAABgVAAA4EcAAA==
pub_title:
 Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy

qdat:
AAAAAAAAAAAEAAABIAAAQABQAFgAAAKAGADAOgVBkCASBQYHgoaCgg0PSDVwa0dcKqoOmidVIKu1pVpHAvGDahSw1KslRJKnDgFERUFESoIEFQoAACgAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Al.761 Fe3.239 S6 O42 H36
compound: La Alcaparrosa, Chile
formula_title: <missing>
a: 10.9370
b: 10.9370
c: 17.0813
alpha: 90
beta: 90
gamma: 120
cell_volume: 1769.490
crystal_density: 2.068
atoms_aniso_label: ["Al1", "Fe1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3"]
atoms_aniso_u11: +LYAAPi2AADYqQAAQBkBABDbAABAQQEAIBEBAMBcAQCoHwEACGUBABDpAQBgZgIA
atoms_aniso_u22: +LYAAPi2AADYqQAAQBkBAPixAACQLQEASBsBALAwAQAg7gAA+PwAAMCiAQAorgEA
atoms_aniso_u33: uAoBALgKAQCoxQAAoOsAAND3AADQ+wEAcHUBACA0AQBQIgEAIN4BAKDqAQCQqgEA
atoms_aniso_u12: kFsAAJBbAAAAVQAAoIwAAJBWAAAgqAAAADcAAACCAACIhgAA8IcAAEChAADQRwEA
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAMj2///A/v//SDAAAFC///94v///eHT//7AxAAAA3AAA
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAALDc//9AcP//yAUAALgaAAB4pv//qN///7Dc//+4pgAA
pub_title:
 Aluminum-for-iron substitution, hydrogen bonding,
 and a novel structure-type in coquimbite-like minerals

atoms_sites:
["Al1", "Fe1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3", "H11", "H12", "H21", "H22a", "H22b", "H31", "H32"]

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: Al Fe3 S6 O42 H36
compound: the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA
formula_title: <missing>
a: 10.9170
b: 10.9170
c: 17.0829
alpha: 90
beta: 90
gamma: 120
cell_volume: 1763.189
crystal_density: 2.063
atoms_x: AAAAAFVYFACrsCgAoOwOAAhsEwCgmgYAuGINAJB5FABwCAoAOGsbACDlIgDwLAsAIGQNAPDLFgCggR8AoKUZAABtJABgdSAA
atoms_y: AAAAAKuwKABVWBQAoFAZAIgSFQDQ9BIAYCceAIB5HwBwRQQA+BkHAAjpCQBg6gAAcHcJADBQAgAAvQYA8OcJALArBgBw+ggA
atoms_z: AAAAAEBCDwBgJwAAkIEHAFiJBQDYcwkAOKsDAPhCCwAYwQMAWM0MALBVBADQTQUAEIwEAHCXDACgHw4AQGEOAIBxBAAACAcA
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAAAJPQAACT0A
atoms_u_iso: oM0AAMCyAACQCgEA0NkAADhsAQAATwEA8EABAPAJAQAoTwEAQOEBACDKAQBg2AMAQA0DAABxAgAAawMA4JMEAGBbAwBg2AMA
atoms_aniso_label: ["Al1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3"]
atoms_aniso_u11: 4KsAANCiAAA4EgEAoNIAALAwAQCgCQEAMFYBAGAcAQAQOgEAIMUBAEBeAgA=
atoms_aniso_u22: 4KsAANCiAAA4EgEAEKkAADAkAQCgCQEAYBwBAGDqAABg6gAAsJQBALCtAQA=
atoms_aniso_u33: cBEBAKDSAABA+wAAIP0AAIAAAgAwbwEAUCcBANAaAQBgsgEAUO8BALCtAQA=
atoms_aniso_u12: 8FUAAGhRAAAIiQAAYE8AAGihAADQNAAAaH4AACCFAABgdwAA4JIAAJBGAQA=
atoms_aniso_u13: AAAAAAAAAAAAAAAA+PP//1D7///gLgAAwMf//2C+//8QeP//UC0AABDWAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAYNz//yBt///g/P//UBQAAOCn//9w5f//INH//yCZAAA=
pub_title:
 Aluminum-for-iron substitution, hydrogen bonding,
 and a novel structure-type in coquimbite-like minerals

atoms_sites:
["Al1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3", "H11", "H12", "H21", "H22a", "H22b", "H31", "H32"]

qdat:
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formula: Al Fe3 S6 O42 H36
compound: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
formula_title: <missing>
a: 10.9100
b: 10.9100
c: 17.0625
alpha: 90
beta: 90
gamma: 120
cell_volume: 1758.826
crystal_density: 2.068
atoms_x: AAAAAFVYFACrsCgAMO4OAJhtEwAAlQYAAGYNAOh7FACoBwoA8GwbAAjpIgBAKAsAYFENABC2FgAgjh8AMKcZAMBmJAAgViAA
atoms_y: AAAAAKuwKABVWBQAaFEZAAATFQBQ8hIAICseAMh3HwCQQwQAaBgHAOjqCQBw3wAAcHcJADBQAgDQ3QYA0OQJADAfBgCA1ggA
atoms_z: AAAAAEBCDwAQJwAAAIAHAAiJBQCAcQkAEKsDAEBBCwAwwgMAgM0MAMBUBAAgSQUAUJIEAJCzDABwJw4AoGoOAMB3BAAQ/QYA
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAAAJPQAACT0A
atoms_u_iso: YMcAAOCmAAA4DQEAgM8AAIBlAQBYTAEAaEEBAKgBAQDASAEAsN8BAIjGAQBg2AMAQIoDAECQAgCggAIAQH4FAIAsAwDgFgQA
atoms_aniso_label: ["Al1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3"]
atoms_aniso_u11: WKIAABicAAAAGAEAKM0AAGA1AQDQAQEAQEsBAEAZAQBgNQEAQMgBACBbAgA=
atoms_aniso_u22: WKIAABicAAAAGAEAeKAAANAaAQBwEQEAIC8BACDkAABQ3AAA8JoBALCtAQA=
atoms_aniso_u33: cBEBAHC8AACA9wAAIO4AAJD1AQBgZwEA8B0BALAXAQCAtQEAQOEBAECvAQA=
atoms_aniso_u12: QFEAACBOAAAAjAAAWE0AADikAABAMwAA4H4AAACMAAAgdgAAcJQAAKhMAQA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAmPT//3D+//8AMgAAQLv//4DB///AfP//IDUAAIDUAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAkHgBAFBl//9Q+///wBIAABCq//8A5///oN3//0CcAAA=
pub_title:
 Aluminum-for-iron substitution, hydrogen bonding,
 and a novel structure-type in coquimbite-like minerals
 Note: sample vulc1

atoms_sites:
["Al1", "Fe2", "Fe3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3", "H11", "H12", "H21", "H22a", "H22b", "H31", "H32"]

qdat:
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formula: Fe Al S3 O21 H18
compound: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
formula_title: <missing>
a: 10.7065
b: 10.7065
c: 17.3077
alpha: 90
beta: 90
gamma: 120
cell_volume: 1718.165
crystal_density: 2.061
atoms_x: AAAAAAAAAACrsCgAOJUPAGCuCgCISBYACMETAPhdCQDgiSIAkJAbADCJHgCAAR8AQDslAEASFwBgMB8AwLsaAOD3HQDgjBoA
atoms_y: AAAAAAAAAABVWBQAgE0KADCuAwDwkwgAeDMTACirCQDYJwoAuG8UALg3EABgtAkAoGIHAKAOFQDgmBgAQDwQAGABEgCgzQoA
atoms_z: AAAAAEBCDwBAf///eJ4HAPDoAwDwiAkAYJ8FABhfCwAQRwMAyGswAJjQ+/+AawUAsAUEAHCHMAAgsS4AILEuAPAb+f8A5vv/
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAAAJPQAACT0A
atoms_u_iso: 0OMAALirAADY6gAACMoAAHAqAQAwPQEAwFcBAMj/AABgTgEAMNMBAGBnAQCg/QIA4BwDAGBbAwBgYQIA4J8CAOAcAwDARQQA
atoms_aniso_label: ["Fe1", "Fe2", "Al3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3"]
atoms_aniso_u11: kPsAADCsAABwxgAAoK8AAKAiAQBwEQEAwCUBABDvAAAALAEAYIABAOAoAQA=
atoms_aniso_u22: kPsAADCsAABwxgAAqNQAABBsAQDAiQEA4A8BAOD2AADQMwEAMAUCAGAcAQA=
atoms_aniso_u33: sLMAAKCqAABAMgEA2NYAAJD7AAAQUwEAENABAJD7AADwswEAYP0BAECvAQA=
atoms_aniso_u12: yH0AABhWAABgYwAA2F4AAOCrAABAzgAAMI4AAOBgAABguAAAsOUAAOBgAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAiBgAAIDa//+Q6P//gIkAACBOAADgYAAAsB0AAACc//8=
atoms_aniso_u23: AAAAAAAAAAAAAAAAcBwAAGC+///wIwAAsJoAAKAPAAAwdQAAoEEAAKAPAAA=
pub_title:
 Aluminum-for-iron substitution, hydrogen bonding,
 and a novel structure-type in coquimbite-like minerals
 Note: sample vulc2

atoms_sites:
["Fe1", "Fe2", "Al3", "S", "O1", "O2", "O3", "O4", "OW1", "OW2", "OW3", "H11", "H12", "H21", "H22a", "H22b", "H31", "H32"]

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formula: Mg2.82 Fe.06 Al.15 Si1.94 O9 H4
compound: Coli, Italy
pub_title: Effects of pressure on the structure of lizardite-1T Sample: at P = 7 kbar
formula_title: <missing>
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b: 5.313
c: 7.227
alpha: 90
beta: 90
gamma: 120
cell_volume: 176.672
crystal_density: 2.617
atoms_sites: ["Mg", "Fe", "Al", "Si", "Al", "O1", "O2", "O3", "O4", "H3", "H4"]
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formula: Mg2.79 Fe.15 Al.22 Si1.84 O9 H4
compound: Val Sissone
pub_title: Effects of pressure on the structure of lizardite-1T Sample: at P = 12.5 kbar
formula_title: <missing>
a: 5.316
b: 5.316
c: 7.150
alpha: 90
beta: 90
gamma: 120
cell_volume: 174.987
crystal_density: 2.674
atoms_sites: ["Mg", "Fe", "Al", "Si", "Al", "O1", "O2", "O3", "O4", "H3", "H4"]
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formula: Na3.33 Ca.285 K.1 Al4 Si4 O16
compound: <missing>
formula_title: <missing>
a: 9.982
b: 9.982
c: 8.364
alpha: 90
beta: 90
gamma: 120
cell_volume: 721.738
crystal_density: 2.614
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pub_title:
 The crystal structure of a K-poor Ca-rich silicate with the nepheline
 framework, and crystal-chemical relationships in the compositional
 space (K,Na,Ca,_)8(Al,Si)16O32

atoms_sites:
["Na", "Ca", "Na", "K", "Ca*", "Na*", "AlT1", "SiT2", "SiT3", "AlT4", "O1", "O2", "O3", "O4", "O5", "O6"]

atoms_aniso_label:
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formula: Ca.646 Na.143 Fe.271 Mg.69 Mn.003 Al.42 Ti.044 Si1.783 O6
compound: Victoria, Australia
formula_title: <missing>
a: 9.695
b: 8.841
c: 5.277
alpha: 90
beta: 106.62
gamma: 90
cell_volume: 433.414
crystal_density: 3.383
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-1

atoms_sites:
["CaM2", "NaM2", "FeM2", "MgM2", "MnM2", "AlM1", "FeM1", "MgM1", "TiM1", "SiT", "AlT", "O1", "O2", "O3"]

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formula: Ca.637 Na.159 Fe.29 Mg.647 Mn.004 Al.444 Ti.046 Cr.001 Si1.772 O6
compound: Victoria, Australia
formula_title: <missing>
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-2

atoms_sites:
["CaM2", "NaM2", "FeM2", "MgM2", "MnM2", "AlM1", "FeM1", "MgM1", "TiM1", "CrM1", "SiT", "AlT", "O1", "O2", "O3"]

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formula: Ca.62 Na.136 Fe.27 Mg.721 Mn.005 Al.445 Ti.036 Cr.001 Si1.766 O6
compound: Victoria, Australia
formula_title: <missing>
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cell_volume: 432.709
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-3

atoms_sites:
["CaM2", "NaM2", "FeM2", "MgM2", "MnM2", "AlM1", "FeM1", "MgM1", "TiM1", "CrM1", "SiT", "AlT", "O1", "O2", "O3"]

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formula: Ca.631 Na.163 Fe.295 Mg.662 Mn.004 Al.426 Ti.042 Si1.777 O6
compound: Victoria, Australia
formula_title: <missing>
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-4

atoms_sites:
["CaM2", "NaM2", "FeM2", "MgM2", "MnM2", "AlM1", "FeM1", "MgM1", "TiM1", "SiT", "AlT", "O1", "O2", "O3"]

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compound: Victoria, Australia
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Fr-5

atoms_sites:
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Me-6

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Me-7

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Me-8

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compound: Victoria, Australia
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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Me-9

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Bu-10

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Bu-11

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Bu-12

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Bu-13

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Bu-14

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pub_title:
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: No-15

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pub_title:
 Crystal chemistry of double-ring silicates:
 Structure of natural and dehydrated milarite at 100 K
 Note: natural sample

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pub_title:
 Crystal chemistry of double-ring silicates:
 Structure of natural and dehydrated milarite at 100 K
 Note: heated sample

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compound: <missing>
pub_title: Crystal chemistry of double-ring silicates: structure of roedderite at 100 and 300 K T= 300 K
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formula: Na2 Ca Zr Si2 O7 F2
compound: Burpalinskii massif, North Transbajkal, USSR
formula_title: <missing>
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b: 10.4446
c: 7.2555
alpha: 90
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gamma: 90
cell_volume: 766.697
crystal_density: 3.322
atoms_sites: ["Na1", "Na2", "Ca", "Zr", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "F1", "F2"]
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pub_title:
 Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR:
 its crystal structure and OD character

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formula: Ca.64 K.23 Na.15 Si5.19 Al.79 O14.92 H5.84
compound: Hokiya-dake, Japan
pub_title: Dachiardite from Hokiya-dake: evidence of a new topology
formula_title: <missing>
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formula: (Mg3.295 Fe1.705) Ti (Ca1.93 Na.07) (Si3 Al3) O20
compound: volcanic breccias of Scharnhausen
pub_title: Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships
formula_title: <missing>
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b: 10.807
c: 8.925
alpha: 105.91
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formula: (Mg2 Ti) Ca Si Al2 O10
compound: the Allende meteorite
pub_title: Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships
formula_title: <missing>
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formula: U3 P2 O26 Pb2
compound: <missing>
pub_title: Composition chimique et structure cristalline de la dewindtite Pb3[H(UO2)3O2(PO4)2]2.12H2O
formula_title: <missing>
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formula: Nd.879 Ce.626 Sm.324 Gd.273 Y.254 Pr.147 La.137 Dy.068 Tm.029 Ca1.263 C4 O16
compound: Baveno, Italy
pub_title: Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy
formula_title: <missing>
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b: 8.468
c: 7.212
alpha: 90.04
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formula: Ca1.05 Mn1.1 Sr.73 Si3 Al1.8 Fe.32 O13 H
compound: Val Graveglia, Liguria, Italy
formula_title: <missing>
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b: 5.671
c: 10.203
alpha: 90
beta: 114.63
gamma: 90
cell_volume: 465.430
crystal_density: 3.754
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pub_title:
 Strontiopiemontite, a new member of the epidote group,
 from Val Graveglia, Liguria, Italy
 Sample: SRPM

atoms_sites:
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formula: (Ca1.38 Sr.62) Si3 Al1.74 Mn.94 Fe.32 O13 H
compound: Val Graveglia, Liguria, Italy
formula_title: <missing>
a: 8.870
b: 5.681
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alpha: 90
beta: 114.88
gamma: 90
cell_volume: 466.692
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pub_title:
 Strontiopiemontite, a new member of the epidote group,
 from Val Graveglia, Liguria, Italy
 Sample: SRPC

atoms_sites:
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formula: Ca2 Si3 Al1.83 Fe.17 O12 H2
compound: Komiza
pub_title: Crystal structure of prehnite from Komiza
formula_title: <missing>
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gamma: 90
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formula: K8 Tl3.78 (Si24 Al12) O94.46 H44.92
compound: <missing>
formula_title: <missing>
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b: 18.5432
c: 7.5310
alpha: 90
beta: 90
gamma: 120
cell_volume: 2242.604
crystal_density: 2.695
atoms_aniso_label: "<missing>"
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pub_title:
 Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L
 Sample: data collected with synchrotron radiation

atoms_sites:
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formula: K7.447 Tl3.813 (Si24 Al12) O95.24 H46.48
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
cell_volume: 2242.604
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pub_title:
 Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L
 Sample: data collected with conventional diffractometer radiation

atoms_sites:
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 2122.887
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pub_title:
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: Li-natrolite, LI

qdat:
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 2245.782
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atoms_sites: ["Na", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "OW", "H1", "H2"]
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pub_title:
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: natrolite, NA

qdat:
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formula: K2 Al2 Si3 O12 H4
compound: <missing>
formula_title: <missing>
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b: 19.66
c: 6.469
alpha: 90
beta: 90
gamma: 90
cell_volume: 2450.769
crystal_density: 2.236
atoms_sites: ["K", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "Wat"]
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pub_title:
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: K-natrolite, KK

qdat:
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formula: P3 Al3 O12 N C96 H288
compound: <missing>
formula_title: <missing>
a: 9.0437
b: 9.0437
c: 9.0437
alpha: 90
beta: 90
gamma: 90
cell_volume: 739.671
crystal_density: 8.186
atoms_occupancy: 0
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pub_title:
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: X-ray refinement Pm3n

atoms_sites:
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compound: <missing>
formula_title: <missing>
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alpha: 90
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cell_volume: 739.671
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pub_title:
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: X-ray refinement

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formula: P Al O4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 742.472
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pub_title:
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: Neutron refinement at T = 295 K

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formula: P Al O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structure of MAPO-20 sodalite: theoretical analysis
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 Sample: Neutron refinement at T = 200 K

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compound: <missing>
formula_title: <missing>
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b: 8.9942
c: 8.9942
alpha: 90
beta: 90
gamma: 90
cell_volume: 727.591
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pub_title:
 Crystal structure of MAPO-20 sodalite: theoretical analysis
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 Sample: Neutron refinement at T = 20 K

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formula: Na2 Al2 Si3 O12 H4
compound: <missing>
formula_title: <missing>
a: 18.305
b: 18.632
c: 6.589
alpha: 90
beta: 90
gamma: 90
cell_volume: 2247.236
crystal_density: 2.248
atoms_sites: ["Na", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]
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pub_title:
 Disorder in natrolites: structure determinations of three disordered natrolites and
 one lithium-exchanged disordered natrolite
 Example: Na I

qdat:
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formula: Na2 Al2 Si3 O12 H4
compound: <missing>
formula_title: <missing>
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b: 18.576
c: 6.606
alpha: 90
beta: 90
gamma: 90
cell_volume: 2254.484
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atoms_sites: ["Na", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]
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pub_title:
 Disorder in natrolites: structure determinations of three disordered natrolites and
 one lithium-exchanged disordered natrolite
 Example: Na II

qdat:
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formula: Na2 Al2 Si3 O12 H4
compound: <missing>
formula_title: <missing>
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b: 18.583
c: 6.599
alpha: 90
beta: 90
gamma: 90
cell_volume: 2252.331
crystal_density: 2.243
atoms_sites: ["Na", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]
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pub_title:
 Disorder in natrolites: structure determinations of three disordered natrolites and
 one lithium-exchanged disordered natrolite
 Example: Na III

qdat:
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formula: Na2 Al2 Si3 O12 H4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 2131.868
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atoms_sites: ["Na", "Al", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]
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pub_title:
 Disorder in natrolites: structure determinations of three disordered natrolites and
 one lithium-exchanged disordered natrolite
 Example: Li II

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pub_title: Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral: structural features and OD character
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pub_title: Stratlingite: crystal structure, chemistry, and a reexamination of its polytype vertumnite
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pub_title: X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Sr-L
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pub_title:
 X-ray Rietveld analysis of cation exchanged zeolite-L (LTL)
 Sample: Cs-L
 Note: We are unable to reproduce the reported bond lengths to T1 and K1,
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pub_title:
 Investigation of the structure of harmotome by X-ray (293 K, 100 K)
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 Sample: 293 K

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pub_title:
 Investigation of the structure of harmotome by X-ray (293 K, 100 K)
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 Sample: 100 K

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pub_title:
 Investigation of the structure of harmotome by X-ray (293 K, 100 K)
 and neutron diffraction (15 K)
 Sample: 15 K

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pub_title:
 Composition chimique et structure cristalline
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pub_title:
 Compressibility and high pressure structure refinement
 of tremolite, pargasite and glaucophane
 Sample: pressure at ambient conditions (.001 kbar)

atoms_sites:
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pub_title:
 Compressibility and high pressure structure refinement
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 Sample: pressure at 35 kbar

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pub_title:
 Compressibility and high pressure structure refinement
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 Sample: pressure at ambient conditions (.001 kbar)

atoms_sites:
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pub_title:
 Compressibility and high pressure structure refinement
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 Sample: pressure at 20 kbar

atoms_sites:
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pub_title:
 Compressibility and high pressure structure refinement
 of tremolite, pargasite and glaucophane
 Sample: pressure at 37 kbar

atoms_sites:
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pub_title:
 Compressibility and high pressure structure refinement
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 Sample: pressure at ambient conditions (.001 kbar)

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pub_title:
 Compressibility and high pressure structure refinement
 of tremolite, pargasite and glaucophane
 Sample: pressure at 35 kbar

atoms_sites:
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pub_title:
 Refinement of the crystal structure of neltnerite,
 a member of the bixbyite-braunite group of minerals

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formula: K (Al Ge3) O8
compound: <missing>
formula_title: <missing>
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pub_title:
 Order and anti-order in Ge-substituted alkali feldspars
 Sample: K[AlGe3O8] synthesized at 600 deg C

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formula: Na.25 (Al.25 Ge.75) O2
compound: <missing>
formula_title: <missing>
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b: 13.291
c: 7.342
alpha: 94.38
beta: 116.28
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pub_title:
 Order and anti-order in Ge-substituted alkali feldspars
 Sample: Na[AlGe3O8] synthesized at 980 deg C

atoms_sites:
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formula: Na (Al Si Ge2) O8
compound: <missing>
formula_title: <missing>
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b: 13.1590
c: 7.2734
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beta: 116.306
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pub_title:
 Order and anti-order in Ge-substituted alkali feldspars
 Sample: Na[AlSiGe2O8] synthesized at 600 deg C

atoms_sites:
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formula: Na (Al Si Ge2) O8
compound: <missing>
formula_title: <missing>
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b: 13.1562
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pub_title:
 Order and anti-order in Ge-substituted alkali feldspars
 Sample: Na[AlSiGe2O8] synthesized at 1040 deg C

atoms_sites:
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formula: Ca Ti.975 Al.003 Fe.014 Si.982 O5
compound: Tyrol, Austria
pub_title: The crystal-chemistry of high-aluminium titanites
formula_title: <missing>
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formula: Ca.996 Ti.714 Al.282 Fe.011 Si.992 O5
compound: Liset, Norway
formula_title: <missing>
a: 7.049
b: 8.653
c: 6.527
alpha: 90
beta: 114.12
gamma: 90
cell_volume: 363.356
crystal_density: 3.477
atoms_sites: ["Ca", "Tioct", "Aloct", "Feoct", "Si", "O1", "O2", "O3"]
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pub_title:
 The crystal-chemistry of high-aluminium titanites
 Sample: D167
 Note: y-coord of Ca altered to reproduce published bond lengths

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formula: Ca.984 Si Ti.661 Al.322 Fe.014 O5
compound: Liset, Norway
pub_title: The crystal-chemistry of high-aluminium titanites Sample: K52
formula_title: <missing>
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b: 8.647
c: 6.522
alpha: 90
beta: 114.21
gamma: 90
cell_volume: 362.364
crystal_density: 3.458
atoms_sites: ["Ca", "Si", "Tioct", "Aloct", "Feoct", "O1", "O2", "O3"]
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formula: Ca.986 Ti.605 Al.349 Fe.023 Si O5
compound: Broken Hill, Australia
pub_title: The crystal-chemistry of high-aluminium titanites Sample: TK22
formula_title: <missing>
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b: 8.637
c: 6.514
alpha: 90
beta: 114.25
gamma: 90
cell_volume: 361.285
crystal_density: 3.443
atoms_sites: ["Ca", "Tioct", "Aloct", "Feoct", "Si", "O1", "O2", "O3"]
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formula: Ca Si.988 Ti.636 Al.363 Fe.013 O5
compound: Sierra de los Filabres, Spain
pub_title: The crystal-chemistry of high-aluminium titanites Sample: HEL697
formula_title: <missing>
a: 7.038
b: 8.635
c: 6.514
alpha: 90
beta: 114.24
gamma: 90
cell_volume: 360.973
crystal_density: 3.474
atoms_sites: ["Ca", "Si", "Tioct", "Aloct", "Feoct", "O1", "O2", "O3"]
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formula: B1.1 Al4.9 O9
compound: <missing>
formula_title: 9Al2O3.2B2O3
a: 7.6942
b: 15.0110
c: 5.6689
alpha: 90
beta: 90
gamma: 90
cell_volume: 654.745
crystal_density: 2.923
atoms_sites: ["B", "Al1", "B1", "Al2", "B2", "Al3", "B3", "Al4", "B4", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 Incorporation of chromium into aluminium borate
 9Al2O3.2B2O3 (A9B2)
 Sample: Rietveld refinement of AgB2

qdat:
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formula: B1.04 Al4.8 Cr.16 O9
compound: <missing>
formula_title: Aluminium Borate
a: 7.71
b: 15.07
c: 5.70
alpha: 90
beta: 90
gamma: 90
cell_volume: 662.281
crystal_density: 2.939
atoms_sites: ["B", "Al1", "Cr1", "B1", "Al2", "Al3", "Al4", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 Incorporation of chromium into aluminium borate
 9Al2O3*2B2O3 (A9B2)
 Sample: Single crystal structure refinement of AgB2+Cr

qdat:
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formula: C5
compound: Garfagnana, northern Tuscany, Italy
formula_title: <missing>
a: 12.356
b: 12.762
c: 11.427
alpha: 90
beta: 90
gamma: 90
cell_volume: 1801.892
crystal_density: 0.886
atoms_occupancy: 0
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pub_title:
 Re-discovery and re-definition of dinite, C20H36,
 a forgotten organic mineral from Garfagnana, northern Tuscany, Italy

atoms_sites:
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compound: <missing>
pub_title: Crystal structure of SrMn2(Si2O7)(OH)2.H2O, a new mineral of the lawsonite type
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 757.033
crystal_density: 3.665
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formula: Ca1.48 Mn.98 Sr.03 La.16 Ce.04 Pr.02 Nd.06 Sm.003 Th.004 Al1.75 Mg.08 Fe.39 Si3 O13 H
compound: Monte Brugiana, Alpi Apuane, Italy
formula_title: <missing>
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beta: 115.00
gamma: 90
cell_volume: 464.693
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pub_title:
 Crystal chemistry of piemontites: REE-bearing
 piemontite from Monte Brugiana, Alpi Apuane, Italy
 Sample: BR1A

atoms_sites:
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formula: Ca1.48 Mn.98 Sr.03 La.16 Ce.04 Pr.02 Nd.06 Sm.003 Th.004 Al1.75 Mg.08 Fe.39 Si3 O13 H
compound: Monte Brugiana, Alpi Apuane, Italy
formula_title: <missing>
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beta: 114.99
gamma: 90
cell_volume: 464.319
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pub_title:
 Crystal chemistry of piemontites: REE-bearing
 piemontite from Monte Brugiana, Alpi Apuane, Italy
 Sample: BR1C

atoms_sites:
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formula: Ca1.73 Mn.81 Sr.04 La.02 Ce.02 Pr.002 Nd.01 Al1.88 Mg.01 Fe.51 Si2.97 O13 H
compound: Monte Brugiana, Alpi Apuane, Italy
formula_title: <missing>
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alpha: 90
beta: 115.29
gamma: 90
cell_volume: 461.225
crystal_density: 3.575
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atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of piemontites: REE-bearing
 piemontite from Monte Brugiana, Alpi Apuane, Italy
 Sample: BR2P

atoms_sites:
["CaA1", "MnA1", "CaA2", "SrA2", "LaA2", "CeA2", "PrA2", "NdA2", "AlM1", "MgM1", "MnM1", "FeM1", "AlM2", "MgM2", "MnM2", "FeM2", "AlM3", "MgM3", "MnM3", "FeM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

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formula: Ca1.73 Mn.81 Sr.04 La.02 Ce.02 Pr.002 Nd.01 Al1.88 Mg.01 Fe.51 Si2.97 O13 H
compound: Monte Brugiana, Alpi Apuane, Italy
formula_title: <missing>
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alpha: 90
beta: 115.35
gamma: 90
cell_volume: 459.947
crystal_density: 3.585
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pub_title:
 Crystal chemistry of piemontites: REE-bearing
 piemontite from Monte Brugiana, Alpi Apuane, Italy
 Sample: BR2H

atoms_sites:
["CaA1", "MnA1", "CaA2", "SrA2", "LaA2", "CeA2", "PrA2", "NdA2", "AlM1", "MgM1", "MnM1", "FeM1", "AlM2", "MgM2", "MnM2", "FeM2", "AlM3", "MgM3", "MnM3", "FeM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

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formula: O22.837 F1.163 Na1.168 K.266 Ti.036 Fe.266 Mg4.696 Mn.013 Ca1.393 Si7.629 Al.358 H.837
compound: <missing>
formula_title: <missing>
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b: 18.005
c: 5.274
alpha: 90
beta: 104.65
gamma: 90
cell_volume: 908.055
crystal_density: 3.061
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(1) Fluor-richterite

atoms_sites:
["O1", "O2", "O3", "F", "O4", "O5", "O6", "O7", "NaA", "KA", "NaAm", "KAm", "TiM1", "FeM1", "MgM1", "MnM1", "TiM2", "FeM2", "MgM2", "MnM2", "TiM3", "FeM3", "MgM3", "MnM3", "CaM4", "NaM4", "SiT1", "AlT1", "TiT1", "SiT2", "AlT2", "TiT2", "H"]

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formula: O23.38 F.62 Na1.114 K.872 Al.098 Ti.006 Mg4.872 Mn.072 Sr.051 Ca1.042 Si7.951 H1.38
compound: <missing>
formula_title: <missing>
a: 9.998
b: 17.976
c: 5.273
alpha: 90
beta: 104.75
gamma: 90
cell_volume: 916.455
crystal_density: 3.051
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(2) Potassium-richterite

atoms_sites:
["O1", "O2", "O3", "F", "O4", "O5", "O6", "O7", "NaA", "KA", "NaAm", "KAm", "AlM1", "TiM1", "MgM1", "MnM1", "AlM2", "TiM2", "MgM2", "MnM2", "AlM3", "TiM3", "MgM3", "MnM3", "SrM4", "CaM4", "NaM4", "SiT1", "AlT1", "SiT2", "AlT2", "H"]

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formula: O22.737 (F1.263 Na1.172) K.724 Fe.012 Mg4.983 Mn.004 Ca1.098 Si7.887 Al.018 Ti.002 H.737
compound: <missing>
formula_title: <missing>
a: 9.970
b: 17.985
c: 5.273
alpha: 90
beta: 104.81
gamma: 90
cell_volume: 914.093
crystal_density: 3.023
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(3) Potassium-fluor-richterite

atoms_sites:
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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(5) Potassium-fluor-richterite

atoms_sites:
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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(6) Potassium-fluor-richterite

atoms_sites:
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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(7) Potassium-fluor-richterite

atoms_sites:
["O1", "O2", "O-H3", "F", "O4", "O5", "O6", "O7", "KA", "KAm", "TiM1", "FeM1", "MgM1", "MnM1", "TiM2", "FeM2", "MgM2", "MnM2", "TiM3", "FeM3", "MgM3", "MnM3", "CaM4", "NaM4", "SiT1", "AlT1", "TiT1", "SiT2", "AlT2", "TiT2"]

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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(8) Potassium-fluor-richterite

atoms_sites:
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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(9) Potassium-fluor-richterite

atoms_sites:
["O1", "O2", "O-H3", "F", "O4", "O5", "O6", "O7", "KA", "KAm", "TiM1", "FeM1", "MgM1", "MnM1", "TiM2", "FeM2", "MgM2", "MnM2", "TiM3", "FeM3", "MgM3", "MnM3", "CaM4", "NaM4", "SiT1", "AlT1", "TiT1", "SiT2", "AlT2", "TiT2"]

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formula: O24 K.969 Ti.388 Fe.323 Mg4.641 Mn.005 Ca1.053 Na.919 Si7.565 Al.077 H2
compound: <missing>
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pub_title:
 The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite
 Sample: R(12) Potassium-fluor-richterite
 Note: z-coordinate of O2 corrected

atoms_sites:
["O1", "O2", "O-H3", "O4", "O5", "O6", "O7", "KA", "KAm", "TiM1", "FeM1", "MgM1", "MnM1", "TiM2", "FeM2", "MgM2", "MnM2", "TiM3", "FeM3", "MgM3", "MnM3", "CaM4", "NaM4", "SiT1", "AlT1", "TiT1", "SiT2", "AlT2", "TiT2"]

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formula: (Fe2 Zn) O4
compound: <missing>
formula_title: <missing>
a: 8.4421
b: 8.4421
c: 8.4421
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.660
crystal_density: 5.323
atoms_sites: ["Fe", "Zn", "Fe", "Zn", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAMDkDwA=
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 500 C


formula: (Fe2 Zn) O4
compound: <missing>
formula_title: <missing>
a: 8.4421
b: 8.4421
c: 8.4421
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.660
crystal_density: 5.323
atoms_sites: ["Fe", "Zn", "Fe", "Zn", "O"]
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 550 C


formula: (Fe2 Zn) O4
compound: <missing>
formula_title: <missing>
a: 8.4421
b: 8.4421
c: 8.4421
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.660
crystal_density: 5.323
atoms_sites: ["Fe", "Zn", "Fe", "Zn", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeAKDhDwA=
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 600 C


formula: (Fe2 Zn) O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 650 C


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formula_title: <missing>
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 700 C


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formula_title: <missing>
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 750 C


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compound: <missing>
formula_title: <missing>
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 800 C


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compound: <missing>
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 850 C


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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 900 C


formula: (Fe2 Zn) O4
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 950 C


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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 1000 C


formula: (Fe2 Zn) O4
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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
 (ZnFe2O4) from powder XRD structural refinements
 Sample: at T = 1050 C


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pub_title:
 Temperature dependence of the cation distribution in zinc ferrite
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 Sample: at T = 1100 C


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 Flexibility and distortion of the collapsible framework
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pub_title: The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(2)
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pub_title: The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(5) using occupancies from MR(4)
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 Sample: T = 100K

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 Andradite crystal chemistry, dynamic X-site disorder
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 Sample: T = 200K

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 Andradite crystal chemistry, dynamic X-site disorder
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 Sample: T = 293K

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 Andradite crystal chemistry, dynamic X-site disorder
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 Sample: T = 350K

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 Andradite crystal chemistry, dynamic X-site disorder
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 Sample: T = 500K

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 Andradite crystal chemistry, dynamic X-site disorder
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 Sample: T = 500K

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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.835 F.165 (K.919 Na.049 Ba.032) Al1.457 Fe.695 Mg1.997 Mn.004 Ti.166 Si2.68 H1.265
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 21
formula_title: <missing>
a: 5.326
b: 9.222
c: 10.223
alpha: 90
beta: 100.04
gamma: 90
cell_volume: 494.427
crystal_density: 2.991
atoms_sites:
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atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.693 F.307 (K.854 Na.11 Ba.036) Al.748 Fe.745 Mg1.7 Mn.007 Ti.487 Si3.252 H.556
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 22
formula_title: <missing>
a: 5.330
b: 9.245
c: 10.192
alpha: 90
beta: 100.35
gamma: 90
cell_volume: 494.048
crystal_density: 3.041
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.983 F.017 (K.881 Na.082 Ca.002 Ba.036) Al1.464 Fe.883 Mg1.852 Mn.009 Ti.141 Si2.652 H1.426
compound: <missing>
formula_title: <missing>
a: 5.328
b: 9.219
c: 10.233
alpha: 90
beta: 99.88
gamma: 90
cell_volume: 495.179
crystal_density: 3.020
pub_title:
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 23
 Note: O2 z-coordinate changed in order to reproduce bond lengths

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.959 F.041 (K.905 Na.058 Ba.037) Al1.504 Fe1.017 Mg1.666 Mn.01 Ti.179 Si2.624 H1.089
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 24
formula_title: <missing>
a: 5.328
b: 9.224
c: 10.247
alpha: 90
beta: 100.01
gamma: 90
cell_volume: 495.928
crystal_density: 3.052
atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.742 F.258 (K.885 Ba.115) Al1.655 Fe.999 Mg1.58 Mn.007 Ti.171 Si2.587 H1.218
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 25
formula_title: <missing>
a: 5.333
b: 9.241
c: 10.180
alpha: 90
beta: 100.10
gamma: 90
cell_volume: 493.919
crystal_density: 3.123
atoms_sites:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.331 (F.669 K.475) Na.041 Ca.004 Ba.481 Al2.003 Fe.295 Mg2.441 Mn.019 Ti.043 Si2.199 H1.331
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 26
formula_title: <missing>
a: 5.322
b: 9.209
c: 10.163
alpha: 90
beta: 100.17
gamma: 90
cell_volume: 490.266
crystal_density: 3.222
atoms_sites:
["O1", "O2", "O3", "O-H4", "F4", "K", "Na", "Ca", "Ba", "AlM2", "FeM2", "MgM2", "MnM2", "TiM2", "AlM1", "FeM1", "MgM1", "MnM1", "TiM1", "SiT", "AlT"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: O11.286 (F.714 K.408) Na.039 Ca.01 Ba.543 Al1.997 Fe.272 Mg2.533 Mn.004 Ti.026 Si2.168 H1.286
compound: <missing>
pub_title: Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 27
formula_title: <missing>
a: 5.318
b: 9.214
c: 10.164
alpha: 90
beta: 100.11
gamma: 90
cell_volume: 490.303
crystal_density: 3.253
atoms_sites:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_u11:
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compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12
 Sample: specimen C12A7H15, intermediate phase resulting from the
 decomposition of hydrogarnet. Ca12Al14O33(H2O)15

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compound: <missing>
formula_title: <missing>
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pub_title:
 Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12
 Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks.

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pub_title:
 Crystal-chemistry of a complex Mn-bearing alkali amphibole
 ("tirodite") on the verge of exsolution

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formula: U.62 Y.29 Th.07 Mn.03 Ca.02 Nd.01 Ti1.46 Nb.36 Ta.12 O6
compound: Elba Island, Italy
formula_title: <missing>
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b: 5.558
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alpha: 90
beta: 90
gamma: 90
cell_volume: 417.185
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pub_title:
 Uranopolycrase, the uranium-dominant analogue of polycrase-(Y),
 a new mineral from Elba Island, Italy, and its crystal structure

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formula: Al F3 O3 H6
compound: Cetine mine, Tuscany, Italy
formula_title: <missing>
a: 7.715
b: 7.715
c: 3.648
alpha: 90
beta: 90
gamma: 90
cell_volume: 217.133
crystal_density: 2.111
atoms_sites: ["Al", "F", "O1", "O2", "F2", "H1", "H2", "H3"]
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pub_title:
 Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the
 Cetine mine (Tuscany, Italy): description and crystal structure

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formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 700 C, Sample HCl/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1516
b: 8.1516
c: 8.1516
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.662
crystal_density: 4.263
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 900 C, Sample HCl/2


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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b: 8.1514
c: 8.1514
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.622
crystal_density: 4.263
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 950 C, Sample HCl/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1511
b: 8.1511
c: 8.1511
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.563
crystal_density: 4.263
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 1000 C, Sample HCl/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1501
b: 8.1501
c: 8.1501
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.363
crystal_density: 4.265
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 1100 C, Sample HCl/1

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formula: (Fe Al2) O4
compound: <missing>
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alpha: 90
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gamma: 90
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crystal_density: 4.263
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 500 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1518
b: 8.1518
c: 8.1518
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.702
crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 500 C, Sample BG2/2


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1522
b: 8.1522
c: 8.1522
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.782
crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 550 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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b: 8.1521
c: 8.1521
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.762
crystal_density: 4.262
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 600 C, Sample BG2/1

qdat:
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formula: (Fe Al2) O4
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formula_title: <missing>
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gamma: 90
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 650 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 701 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
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crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 750 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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crystal_density: 4.261
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 800 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1522
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gamma: 90
cell_volume: 541.782
crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 850 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1522
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alpha: 90
beta: 90
gamma: 90
cell_volume: 541.782
crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 900 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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gamma: 90
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crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 900 C, Sample BG2/2


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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gamma: 90
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crystal_density: 4.262
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 950 C, Sample BG2/1


formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
a: 8.1507
b: 8.1507
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alpha: 90
beta: 90
gamma: 90
cell_volume: 541.483
crystal_density: 4.264
atoms_sites: ["Fe", "Al", "Fe", "Al", "O"]
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 1100 C, Sample BG2/1

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formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal chemistry of synthetic hercynite (FeAl2O4)
 from XRD structural refinements and Mossbauer spectroscopy
 Sample: T = 1200 C, Sample BG2/1

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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 106.27
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pub_title:
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di75En10CaTs15

qdat:
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pub_title:
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di75En10CaTs15, split M2 atom model

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compound: <missing>
formula_title: <missing>
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c: 5.258
alpha: 90
beta: 106.47
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cell_volume: 433.390
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pub_title:
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di65En20CaTs15

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compound: <missing>
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beta: 106.47
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pub_title:
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di65En20CaTs15, split M2 model

qdat:
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compound: <missing>
formula_title: <missing>
a: 9.687
b: 8.832
c: 5.268
alpha: 90
beta: 106.18
gamma: 90
cell_volume: 432.855
crystal_density: 3.330
atoms_sites: ["CaM2", "MgM1", "AlM1", "AlT", "SiT", "O1", "O2", "O3"]
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pub_title:
 Effect of Al on enstatite solubility in CMAS clinopyroxenes:
 2 - Crystal chemical considerations
 Sample: Di70CaTs30

qdat:
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formula: K.9 Na.07 Al2.4 Fe.22 Mg.16 Ti.02 Si3.2 O12 H2
compound: <missing>
formula_title: <missing>
a: 5.2108
b: 9.0399
c: 20.021
alpha: 90
beta: 95.76
gamma: 90
cell_volume: 938.330
crystal_density: 2.850
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pub_title:
 Powder neutron diffraction study of 2M_1 muscovite
 at room pressure and at 2 GPa
 Sample: P = 1 bar

atoms_sites:
["K", "Na", "Al", "Fe", "Mg", "Ti", "Si1", "Al1", "Si2", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "H"]

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compound: <missing>
formula_title: <missing>
a: 5.187
b: 8.995
c: 19.502
alpha: 90
beta: 95.78
gamma: 90
cell_volume: 905.280
crystal_density: 2.954
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pub_title:
 Powder neutron diffraction study of 2M_1 muscovite
 at room pressure and at 2 GPa
 Sample: P = 2 GPa

atoms_sites:
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formula: (Tl.8 K.2) Fe3 S2 O14 H6
compound: <missing>
pub_title: Dorallcharite, Tl0.8K0.2Fe3(SO4)2(OH)6, a new member of the jarosite-alunite family
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
cell_volume: 821.897
crystal_density: 3.837
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formula: Al1.05 Mg.92 Fe.015 B O4
compound: <missing>
pub_title: The structural redetermination and crystal chemistry of sinhalite, MgAlBO4
formula_title: <missing>
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b: 9.8819
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alpha: 90
beta: 90
gamma: 90
cell_volume: 243.207
crystal_density: 3.450
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formula: Ca Fe2.79 Mg.02 Al.09 Mn.1 Si2 O9 H
compound: <missing>
formula_title: <missing>
a: 13.006
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c: 5.858
alpha: 90
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cell_volume: 671.064
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Cinco Villas X-2

atoms_sites:
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formula: Ca Fe2.78 Mg.02 Al.09 Mn.1 Si2 O9 H
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Cinco Villas X-3

atoms_sites:
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formula: Ca Fe2.91 Mg.02 Al.05 Mn.02 Si2 O9 H
compound: <missing>
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Seriphos X-3.1

atoms_sites:
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Seriphos X-3.2

atoms_sites:
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
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 Sample: Oridda X-2.3

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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Oridda X-3.3

atoms_sites:
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Oridda X-3.4
 Note: O(2,1) y-coordinate changed in order to match reported bond lengths

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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structure refinements of ilvaite: new relationships
 between chemical composition and crystallographic parameters
 Sample: Rio Marina X

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compound: Vesuvius, Italy
formula_title: <missing>
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pub_title:
 Quadridavyne, [(Na,K)6Cl2][Ca2Cl2][Si6Al6O24], a new feldspathoid
 mineral from Vesuvius area
 Note: Cl1 y-coordinate altered

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pub_title: Muscovite- and phengite-3T: crystal structure and conditions of formation
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compound: Dora-Maira
pub_title: Muscovite- and phengite-3T: crystal structure and conditions of formation
formula_title: <missing>
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formula: K2.98 Na1.22 (Nb2.2 Ti1.8) Si8 O31.15 H6.3
compound: <missing>
formula_title: <missing>
a: 14.692
b: 14.164
c: 7.859
alpha: 90
beta: 117.87
gamma: 90
cell_volume: 1445.745
crystal_density: 2.675
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pub_title:
 Crystal structure and microtwinning of K-rich nenadkevichite
 Note: Wat4 y-coordinate changed to reproduce reported bond lengths

atoms_sites:
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formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10670
b: 8.10670
c: 8.10670
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.761
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 800 C  data set 1


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10670
b: 8.10670
c: 8.10670
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.761
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 800 C  data set 2


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10664
b: 8.10664
c: 8.10664
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.749
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 900 C  data set 1


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10664
b: 8.10664
c: 8.10664
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.749
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 900 C  data set 2


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10664
b: 8.10664
c: 8.10664
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.749
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 900 C  data set 3


formula: (Co Al2) O4
compound: <missing>
pub_title: Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1000 C
formula_title: CoAl2O4
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b: 8.10630
c: 8.10630
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.682
crystal_density: 4.411
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formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10669
b: 8.10669
c: 8.10669
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.759
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 1050 C  data set 1


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10669
b: 8.10669
c: 8.10669
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.759
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 1050 C  data set 2


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.10669
b: 8.10669
c: 8.10669
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.759
crystal_density: 4.411
atoms_sites: ["Co", "Al", "Co", "Al", "O"]
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pub_title:
 Temperature dependence of the cation distribution in CoAl2O4 spinel
 Quenched from T = 1050 C  data set 3


formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
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atoms_sites:
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formula: Mg.99 Ti.19 Fe.01 Al5.22 B Si2.88 P.02 O18 H2.96
compound: <missing>
formula_title: <missing>
a: 11.91
b: 20.40
c: 4.730
alpha: 90
beta: 90
gamma: 90
cell_volume: 1149.220
crystal_density: 3.224
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pub_title:
 Magnesiodumortierite, a new mineral from very-high-pressure
 rocks (Western Alps). Part I: Crystal structure

atoms_sites:
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formula: Na1.074 Cd.946 Ca.98 Mg2 P3 O12
compound: <missing>
formula_title: <missing>
a: 12.005
b: 12.675
c: 6.546
alpha: 90
beta: 114.55
gamma: 90
cell_volume: 906.017
crystal_density: 3.694
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pub_title:
 Synthese et cristallochimie de NaCaCdMg2(PO4)3,
 Phosphate nouveau a structure alluaudite sans cation trivalent
 Note: P2 y-coordinate changed to reproduce bond lengths

atoms_sites:
["NaX1", "CdX1", "NaX2", "CaX2", "CdM1", "CaM1", "MgM2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6"]

qdat:
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formula: Ba.09 Mg2 Si10.8 Al4.2 O30
compound: <missing>
formula_title: <missing>
a: 10.058
b: 10.058
c: 14.336
alpha: 90
beta: 90
gamma: 120
cell_volume: 1255.977
crystal_density: 2.532
atoms_sites: ["BaC", "MgA", "SiT1", "AlT1", "AlT2", "O1", "O2", "O3"]
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pub_title:
 Crystal structure refinement of synthetic osumilite-type
 phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30
 Sample: MAS, Mg2Al4Si11O30

qdat:
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formula: Ba Mg2 Si9 Al6 O30
compound: <missing>
formula_title: <missing>
a: 10.129
b: 10.129
c: 14.340
alpha: 90
beta: 90
gamma: 120
cell_volume: 1274.128
crystal_density: 2.817
atoms_sites: ["BaC", "MgA", "SiT1", "AlT1", "AlT2", "O1", "O2", "O3"]
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pub_title:
 Crystal structure refinement of synthetic osumilite-type
 phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30
 Sample: CBa, BaMg2Al6Si9O30

qdat:
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formula: Sr.91 Mg2 Si9.18 Al5.82 O30
compound: <missing>
formula_title: <missing>
a: 10.1273
b: 10.1273
c: 14.2274
alpha: 90
beta: 90
gamma: 120
cell_volume: 1263.699
crystal_density: 2.689
atoms_sites: ["SrC", "MgA", "SiT1", "AlT1", "AlT2", "O1", "O2", "O3"]
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pub_title:
 Crystal structure refinement of synthetic osumilite-type
 phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30
 Sample: CSr, SrMg2Al6Si9O30

qdat:
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formula: K (Ga Si3) O8
compound: <missing>
pub_title: Structure of sanidine-type KGaSi3O8: Tetrahedral-site disordering in potassium feldspar
formula_title: <missing>
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b: 13.102
c: 7.229
alpha: 90
beta: 116.06
gamma: 90
cell_volume: 736.838
crystal_density: 2.894
atoms_sites: ["K", "GaT1", "SiT1", "GaT2", "SiT2", "OA1", "OA2", "OB", "OC", "OD"]
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formula: K.66 Na.56 Ca.4 (Si9.96 Al2.04) O30.94 H13.88
compound: Ponza, Italy
pub_title: Diagenetic mordenite from Ponza, Italy
formula_title: <missing>
a: 18.109
b: 20.485
c: 7.523
alpha: 90
beta: 90
gamma: 90
cell_volume: 2790.753
crystal_density: 2.138
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formula: Tl2.5 Sb5.033 As1.467 S11
compound: <missing>
pub_title: The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22
formula_title: <missing>
a: 7.393
b: 8.711
c: 17.58
alpha: 103.81
beta: 91.81
gamma: 109.51
cell_volume: 1028.616
crystal_density: 5.122
atoms_sites:
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formula: Na2 (Si3.073 Al1.927) O12 H4
compound: <missing>
pub_title: Order-disorder in natrolite-group minerals
formula_title: <missing>
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b: 18.561
c: 6.587
alpha: 90
beta: 90
gamma: 90
cell_volume: 2243.128
crystal_density: 2.252
atoms_sites: ["Na", "Si1", "Al1", "Si2", "Al2", "Al", "Si", "O1", "O2", "O3", "O4", "O5", "OW", "H1", "H2"]
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atoms_aniso_u23: ENz//wAAAAAAAAAAoPb//6D2//+g9v//oPb//wAAAAAAAAAAgMH//6APAAAAAAAAYPD//w==
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formula: Te3 (Fe1.1 Zn.82 Mn.08) Mg.45 O13.08 H8.16
compound: Moctezuma Mine, Moctezuma, Sonora, Mexico
formula_title: <missing>
a: 9.404
b: 9.404
c: 7.636
alpha: 90
beta: 90
gamma: 120
cell_volume: 584.819
crystal_density: 4.149
atoms_sites: ["Te", "Fe", "Zn", "Mn", "Mg", "O1", "O2", "Wat3", "Wat4"]
atoms_x: uEweAFVYFABVWBQAVVgUAAAAAADg2QkAwPQdAKDFAwAAHAwA
atoms_y: 4NEbAKuwKACrsCgAq7AoAAAAAAAw1B4AUKwIAJCHCwAgugcA
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atoms_occupancy: AAk9AMCRIQBABhkAAHECAKC7DQAACT0AAAk9AMBcFQBAJBQA
atoms_u_iso: sMwAAHDfAABw3wAAcN8AAKA7AQCA1AAAcFwBAPDAAwAQDwQA
atoms_aniso_label: ["Te", "Fe", "Zn", "Mn", "Mg", "O1", "O2", "Wat3", "Wat4"]
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEsAANDV//8gZwAA
pub_title:
 Crystal chemistry of the microporous tellurite minerals
 zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn)
 Note: sample moc6

qdat:
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formula: Te3 (Fe.98 Zn.84 Mn.18) Mg.51 O13.5 H9
compound: Bambolla Mine, Moctezuma, Sonora, Mexico
formula_title: <missing>
a: 9.420
b: 9.420
c: 7.657
alpha: 90
beta: 90
gamma: 120
cell_volume: 588.425
crystal_density: 4.175
atoms_sites: ["Te", "Fe", "Zn", "Mn", "Mg", "O1", "O2", "Wat3", "Wat4"]
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pub_title:
 Crystal chemistry of the microporous tellurite minerals
 zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn)
 Note: sample bam6

qdat:
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formula: Te3 (Fe.98 Zn.54 Mn.48) Mg.51 O13.5 H9
compound: Kawazu Mine, Rendaiji, Shimoda City, Shizuoka Prefecture, Japan
formula_title: <missing>
a: 9.451
b: 9.451
c: 7.687
alpha: 90
beta: 90
gamma: 120
cell_volume: 594.625
crystal_density: 4.114
atoms_sites: ["Te", "Fe", "Zn", "Mn", "Mg", "O1", "O2", "Wat3", "Wat4"]
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atoms_aniso_label: ["Te", "Fe", "Zn", "Mn", "Mg", "O1", "O2", "Wat3", "Wat4"]
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pub_title:
 Crystal chemistry of the microporous tellurite minerals
 zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn)
 Note: sample kaw4

qdat:
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formula: K5.5 Na3.5 Ti2 Si8 Al2 O26 Cl3
compound: Kola Peninsula, Russia
formula_title: <missing>
a: 10.363
b: 16.310
c: 9.132
alpha: 90
beta: 105.34
gamma: 90
cell_volume: 1488.505
crystal_density: 2.660
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:
 Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
 aluminosilicate from Kola Peninsula (Russia) related to
 lemoynite: crystal structure and thermal evolution
 Sample: RT, T = 20 C, before heating

atoms_sites:
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formula: K5.5 Na3.5 Ti2 Si8 Al2 O26 Cl3
compound: Kola Peninsula, Russia
formula_title: <missing>
a: 10.423
b: 16.333
c: 9.160
alpha: 90
beta: 105.62
gamma: 90
cell_volume: 1501.798
crystal_density: 2.637
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:
 Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
 aluminosilicate from Kola Peninsula (Russia) related to
 lemoynite: crystal structure and thermal evolution
 Sample: HT, T = 700 C

atoms_sites:
["K1", "Na1", "K2", "Na2", "Na1", "Na2", "Ti", "Si1", "Si2", "Al", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Cl1", "Cl2"]

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formula: K5.5 Na3.5 Ti2 Si8 Al2 O26 Cl3
compound: Kola Peninsula, Russia
formula_title: <missing>
a: 10.337
b: 16.257
c: 9.099
alpha: 90
beta: 105.49
gamma: 90
cell_volume: 1473.534
crystal_density: 2.687
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:
 Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline
 aluminosilicate from Kola Peninsula (Russia) related to
 lemoynite: crystal structure and thermal evolution
 Sample: RT', T = 20 C, after heating

atoms_sites:
["K1", "Na1", "K2", "Na2", "Na1", "Na2", "Ti", "Si1", "Si2", "Al", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Cl1", "Cl2"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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formula: K2 Fe S2 O12 H8
compound: Lavrion Mining District, Greece
pub_title: Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from the Lavrion Mining District, Greece
formula_title: <missing>
a: 11.841
b: 9.553
c: 9.942
alpha: 90
beta: 94.87
gamma: 90
cell_volume: 1120.550
crystal_density: 2.361
atoms_aniso_label: ["K", "Fe1", "Fe2", "S1", "S2", "O1", "O2a", "O2b", "O3", "O4", "O5", "O6", "OW1", "Ow2", "OW3"]
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atoms_sites:
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atoms_z:
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qdat:
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formula: (Cu.7 Zn.3) W O4
compound: <missing>
formula_title: <missing>
a: 4.699
b: 5.817
c: 4.887
alpha: 91.33
beta: 92.08
gamma: 83.90
cell_volume: 132.713
crystal_density: 7.806
atoms_sites: ["CuM", "ZnM", "W", "O1", "O2", "O3", "O4"]
atoms_x: oIceAKCHHgBQ9QAAQEIPAODgDACg+ywAYMovAA==
atoms_y: YNsoAGDbKADgugoAIE0VAMCWNQBAEhcAgGs3AA==
atoms_z: wOoOAMDqDgAwfw8AQIMZAICcGgDAvAUAQA0DAA==
atoms_occupancy: gLkqAIBPEgAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: aPEAAGjxAAAoVQAAiCcAAIgnAACIJwAAiCcAAA==
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:
 Rietveld study of the structural phase transition in the
 sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
 Sample: Cu.7Zn.3WO4

qdat:
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formula: (Cu.45 Zn.55) W O4
compound: <missing>
formula_title: <missing>
a: 4.689
b: 5.77
c: 4.899
alpha: 90.84
beta: 91.52
gamma: 85.87
cell_volume: 132.144
crystal_density: 7.852
atoms_sites: ["CuM", "ZnM", "W", "O1", "O2", "O3", "O4"]
atoms_x: sMceALDHHgCgjAAAoDIPAODmCwAgOi0AANovAA==
atoms_y: AJopAACaKQDw4QoA4LAUAAC2NQDgpBYAIIE2AA==
atoms_z: UOwOAFDsDgBQaQ8AoPYYAADbGgAA3AUA4JkDAA==
atoms_occupancy: QHcbAMCRIQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: CLYAAAi2AAAgUwAAiCcAAIgnAACIJwAAiCcAAA==
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:
 Rietveld study of the structural phase transition in the
 sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
 Sample: x=0.55

qdat:
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formula: (Cu.15 Zn.85) W O4
compound: <missing>
formula_title: <missing>
a: 4.687
b: 5.726
c: 4.920
alpha: 90
beta: 90.85
gamma: 90
cell_volume: 132.027
crystal_density: 7.872
atoms_sites: ["CuM", "ZnM", "W", "O1", "O2"]
atoms_x: gIQeAICEHgAAAAAAwA8NAKCvDwA=
atoms_y: oNspAKDbKQBQHQsAwLYGAHAQFgA=
atoms_z: QEIPAEBCDwBAQg8AIPI4AICoGAA=
atoms_occupancy: wCcJAEDhMwAACT0AAAk9AAAJPQA=
atoms_u_iso: WJgAAFiYAAD4ZgAAiCcAAIgnAAA=
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:
 Rietveld study of the structural phase transition in the
 sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
 Sample: x=0.85

qdat:
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formula: Na.15 K.04 Fe1.4 Mg3.65 Al.83 Ca1.67 Mn.03 Si7.38 H1.973 O23.973 F.027
compound: <missing>
formula_title: <missing>
a: 9.810
b: 18.091
c: 5.294
alpha: 90
beta: 104.58
gamma: 90
cell_volume: 909.285
crystal_density: 3.127
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:
 Temperature-dependent Al order-disorder in the
 tetrahedral double chain of C2/m amphiboles
 Sample: S(1)

atoms_sites:
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atoms_x:
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formula: Na.28 K.13 Fe1.63 Mg3.14 Al1.33 Ti.15 Ca1.81 Mn.02 Si6.92 H1.953 O23.953 F.047
compound: <missing>
formula_title: <missing>
a: 9.856
b: 18.078
c: 5.311
alpha: 90
beta: 104.85
gamma: 90
cell_volume: 914.691
crystal_density: 3.181
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:
 Temperature-dependent Al order-disorder in the
 tetrahedral double chain of C2/m amphiboles
 Sample: S(3)

atoms_sites:
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