# cif

formula: Sr3 Ti Si4 O15.274 H4.548
compound: <missing>
pub_title: A refinement of the crystal structure of ohmilite, Sr3(Ti,Fe3+)(O,OH)(Si2O6)2* 2-3H2O
formula_title: <missing>
a: 10.979
b: 7.799
c: 7.818
alpha: 90
beta: 100.9
gamma: 90
cell_volume: 657.341
crystal_density: 3.395
atoms_x: sMEGAEBqGQAwRxAAAAAAAFA+EgBgiQwAYLIBANAvCgAQDwQAwCMSAJDADgDAEhkAkEMOAHCMEgAwugEA0PweAKDMHwA=
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atoms_u_iso: 0
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atoms_sites:
["Sr1", "Sr2", "Sr3", "Ti", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat1", "Wat2", "Wat3"]

atoms_aniso_label:
["Sr1", "Sr2", "Sr3", "Ti", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat1", "Wat2", "Wat3"]

qdat:
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formula: Fe3 B O5
compound: <missing>
pub_title: Crystal structure and Mossbauer spectrum of vonsenite, 2FeO*FeBO3
formula_title: <missing>
a: 9.463
b: 12.305
c: 3.0727
alpha: 90
beta: 90
gamma: 90
cell_volume: 357.792
crystal_density: 4.796
atoms_sites: ["Fe1", "Fe2", "Fe3", "Fe4", "B1", "O1", "O2", "O3", "O4", "O5"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Fe1", "Fe2", "Fe3", "Fe4", "B1", "O1", "O2", "O3", "O4", "O5"]
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qdat:
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formula: (V3.45 Fe1.1 Ti.3 Al.15) (O8 H)
compound: <missing>
formula_title: <missing>
a: 5.890
b: 5.890
c: 9.255
alpha: 90
beta: 90
gamma: 120
cell_volume: 278.059
crystal_density: 4.594
atoms_x: WBsKAFgbCgBYGwoAWBsKAFVYFABVWBQAVVgUAFVYFABVWBQAVVgUAFVYFABVWBQAAAAAAFVYFABARwoAEJkfAA==
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atoms_u_iso: 0
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 crystal chemistry of nolanite, (V,Fe,Ti,Al)10O14(OH)2, from Kalgoorlie,
 Western Australia
 sample: crystal # 1

atoms_sites:
["V1", "Fe1", "Ti1", "Al1", "V2", "Fe2", "Ti2", "Al2", "V3", "Fe3", "Ti3", "Al3", "O-H1", "O2", "O3", "O4"]

qdat:
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formula: (V2.6 Fe1.75 Ti.55 Al.1) (O8 H)
compound: <missing>
formula_title: <missing>
a: 5.890
b: 5.890
c: 9.255
alpha: 90
beta: 90
gamma: 120
cell_volume: 278.059
crystal_density: 4.637
atoms_x: 0C8KANAvCgDQLwoA0C8KAFVYFABVWBQAVVgUAFVYFABVWBQAVVgUAFVYFABVWBQAAAAAAFVYFACQQgoAUJ8fAA==
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atoms_z: 0MwmANDMJgDQzCYA0MwmAFATFQBQExUAUBMVAFATFQAwdzoAMHc6ADB3OgAwdzoAEO8AAKDcLQAAjQ4AkBoAAA==
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atoms_aniso_label: "<missing>"
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pub_title:
 The crystal chemistry of nolanite, (V,Fe,Ti,Al)10O14(OH)2, from Kalgoorlie,
 Western Australia
 sample: crystal # 2

atoms_sites:
["V1", "Fe1", "Ti1", "Al1", "V2", "Fe2", "Ti2", "Al2", "V3", "Fe3", "Ti3", "Al3", "O-H1", "O2", "O3", "O4"]

qdat:
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formula: Si8 Mg5 (Na2 Ca2) K4 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample Na, T = 24 C
formula_title: <missing>
a: 9.938
b: 17.952
c: 5.258
alpha: 90
beta: 106.62
gamma: 90
cell_volume: 898.874
crystal_density: 3.764
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_u_iso: 0
atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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qdat:
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formula: Si8 Mg5 (Na2 Ca2) K4 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample Na, T = 400 C
formula_title: <missing>
a: 9.979
b: 18.036
c: 5.270
alpha: 90
beta: 106.71
gamma: 90
cell_volume: 908.448
crystal_density: 3.724
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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qdat:
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formula: Si8 Mg5 (Na2 Ca2) K4 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample Na, T = 600 C
formula_title: <missing>
a: 10.008
b: 18.087
c: 5.278
alpha: 90
beta: 106.69
gamma: 90
cell_volume: 915.147
crystal_density: 3.697
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_u_iso: 0
atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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formula: Si8 Mg5 (Na2 Ca2) K4 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample Na, T = 800 C
formula_title: <missing>
a: 10.032
b: 18.131
c: 5.284
alpha: 90
beta: 106.7
gamma: 90
cell_volume: 920.571
crystal_density: 3.675
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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formula: Si8 Mg5 (Na2 Ca2) K4 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample Na, T = 900 C
formula_title: <missing>
a: 10.043
b: 18.149
c: 5.286
alpha: 90
beta: 106.69
gamma: 90
cell_volume: 922.892
crystal_density: 3.666
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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formula: Si8 Mg5 (Na2 Ca2) K2 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample K, T = 24 C
formula_title: <missing>
a: 9.992
b: 17.972
c: 5.260
alpha: 90
beta: 105.80
gamma: 90
cell_volume: 908.883
crystal_density: 3.437
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Si1", "Si2", "Mg1", "Mg2", "Mg3", "Na", "Ca", "K", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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formula: Si8 Mg5 (Na2 Ca2) K2 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample K, T = 400 C
formula_title: <missing>
a: 10.041
b: 18.056
c: 5.272
alpha: 90
beta: 105.83
gamma: 90
cell_volume: 919.566
crystal_density: 3.397
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formula: Si8 Mg5 (Na2 Ca2) K2 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample K, T = 600 C
formula_title: <missing>
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b: 18.106
c: 5.278
alpha: 90
beta: 105.83
gamma: 90
cell_volume: 925.828
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formula: Si8 Mg5 (Na2 Ca2) K2 O22 F2
compound: <missing>
pub_title: High temperature crystal chemistry of K and Na fluor-richterites Note: sample K, T = 800 C
formula_title: <missing>
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b: 18.159
c: 5.285
alpha: 90
beta: 105.85
gamma: 90
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formula: Ce8.127 Si6.862 Mg Ca.169 O30.899 H3.899
compound: <missing>
formula_title: <missing>
a: 10.779
b: 10.779
c: 38.061
alpha: 90
beta: 90
gamma: 120
cell_volume: 3829.727
crystal_density: 4.841
atoms_u_iso: 0
pub_title:
 Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and
 relation to whitlockite
 Note: Thermal parameters have been changed to match symmetry constraints,
 It is likely that the structure was refined wrong to begin with.

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formula: Na.956 Zr Be.5 P2 O8
compound: <missing>
pub_title: Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal structure
formula_title: <missing>
a: 6.567
b: 6.567
c: 17.119
alpha: 90
beta: 90
gamma: 90
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formula: Ca Ge O3
compound: <missing>
formula_title: CaGeO3
a: 5.2607
b: 5.2688
c: 7.4452
alpha: 90
beta: 90
gamma: 90
cell_volume: 206.363
crystal_density: 5.172
atoms_sites: ["Ca", "Ge", "O1", "O2"]
atoms_x: ULD//wAAAADgsgMA0K4rAA==
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atoms_z: QEIPAAAAAABAQg8AAPQBAA==
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pub_title:
 The crystal structure of CaGeO3 perovskite and the crystal chemistry of the
 GdFeO3-type perovskites

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formula: Al3.06 Si2.94 Na O12 H2
compound: <missing>
pub_title: The crystal structure of paragonite-2M1
formula_title: <missing>
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b: 8.898
c: 19.287
alpha: 90
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cell_volume: 877.510
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formula: Fe Ti O3
compound: <missing>
pub_title: Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure T = 24 C
formula_title: <missing>
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b: 5.0884
c: 14.0855
alpha: 90
beta: 90
gamma: 120
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formula: Fe Ti O3
compound: <missing>
pub_title: Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure T = 400 C
formula_title: <missing>
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b: 5.108
c: 14.1287
alpha: 90
beta: 90
gamma: 120
cell_volume: 319.253
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formula: Fe Ti O3
compound: <missing>
pub_title: Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure T = 600 C
formula_title: <missing>
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b: 5.1182
c: 14.1566
alpha: 90
beta: 90
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cell_volume: 321.162
crystal_density: 4.707
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formula: Fe Ti O3
compound: <missing>
pub_title: Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure T = 800 C
formula_title: <missing>
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b: 5.128
c: 14.187
alpha: 90
beta: 90
gamma: 120
cell_volume: 323.085
crystal_density: 4.679
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formula: Fe Ti O3
compound: <missing>
pub_title: Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure T = 1050 C
formula_title: <missing>
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b: 5.1412
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formula_title: <missing>
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pub_title:
 Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
 room temperature after heating

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pub_title: The crystal structure of high clinoferrosilicate T = 1050 C
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formula: Mg1.47 Mn.53 Si2 O6
compound: <missing>
formula_title: <missing>
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pub_title:
 Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase
 relations in the system MnSiO3-MgSiO3-FeSiO3

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formula: Ca.592 Mn.401 Al Na P F2 O5 H
compound: Viitaniemi pegmatite, Orivesi, southern Finland
pub_title: The crystal structure of viitaniemiite
formula_title: <missing>
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b: 7.151
c: 6.836
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gamma: 90
cell_volume: 251.677
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formula: (Al Si3) (K.89 Na.11) O8
compound: <missing>
pub_title: Strain in triclinic alkali feldspars: a crystal structure study intermediate
formula_title: <missing>
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formula: Pb2 Mn Ca6 Si6 S2 O32 H12
compound: <missing>
formula_title: <missing>
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c: 13.089
alpha: 90
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pub_title:
 Roeblingite, Pb2Ca6(SO4)2(OH)2(H2O)4[Mn(Si3O9)2]: Its crystal structure and
 comments on the lone pair effect

atoms_sites:
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formula: Cu7.68 Fe1.44 Ag2.118 (Sb2.7 As1.3) S13
compound: <missing>
pub_title: Crystal structure refinement of an arsenic-bearing argentian tetrahedrite
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formula: Mn3 Ca2 Si2.5 O14 H4
compound: Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA
formula_title: <missing>
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b: 19.130
c: 6.121
alpha: 90
beta: 90
gamma: 90
cell_volume: 1062.518
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pub_title:
 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
 structures of ruizite, macfallite and orientite

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compound: Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA
formula_title: <missing>
a: 10.235
b: 6.086
c: 8.970
alpha: 90
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cell_volume: 522.500
crystal_density: 3.466
pub_title:
 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
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formula: Mn2 Ca2 Si4 O17 H6
compound: Nchwaning mine, Kalahari manganese field, South Africa
formula_title: <missing>
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b: 6.171
c: 11.976
alpha: 90
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pub_title:
 Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
 structures of ruizite, macfallite and orientite

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formula: Mg1.947 Mn2.869 Zn.184 Si2 O9.06 (F.94 H1.06)
compound: Sterling mine, Ogdensburg, New Jersey, USA
pub_title: Crystal structure refinement of magnesian alleghanyite
formula_title: <missing>
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b: 10.574
c: 8.083
alpha: 108.74
beta: 90
gamma: 90
cell_volume: 389.719
crystal_density: 3.724
atoms_sites: ["MgM1", "MnM1", "MgM2", "MnM2", "MgM3", "MnM3", "ZnM3", "Si", "O1", "O2", "O3", "O4", "O-H", "F"]
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formula: Zn4 O12 Be3 Si3 S
compound: <missing>
pub_title: The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2
formula_title: <missing>
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b: 8.109
c: 8.109
alpha: 90
beta: 90
gamma: 90
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 Fingerite Cu11O2(VO4)6: a new vanadium sublimate from Izalco Volcano, El
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pub_title:
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pub_title:
 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
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 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
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 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
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pub_title:
 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
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 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
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pub_title:
 Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6
 Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints

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pub_title: The crystal structure of wroewolfeite, a mineral with [Cu4(OH)6(SO4)(H2O)] sheets
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pub_title: Sb10S15, a Pb-free analogue of fueloeppite, Pb3Sb8S15
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formula_title: <missing>
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pub_title:
 Electron ordering in ilvaite, a mixed-valence iron
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pub_title: Crystal structure refinement of anandite-2Or, a barium- and sulfur-bearing trioctahedral mica
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compound: <missing>
pub_title: Refinement of the structure of carnallite, Mg(H2O)6KCl3
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formula: Ca Mg3 C4 O12
compound: <missing>
pub_title: Crystal structure refinement of huntite, CaMg3(CO3)4, with X-ray powder data
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formula: Ca4 Mn6.64 Si8 O32 H7
compound: <missing>
pub_title: X-ray and HRTEM structure analysis of orientite
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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pub_title:
 Refinement of the crystal structure of krausite: a mineral with an
 interpolyhedral oxygen-oxygen contact shorter than the hydrogen bond

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formula: Cu3 As2 O8
compound: <missing>
pub_title: Lammerite, Cu3(AsO4)2, a modulated close-packed structure
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formula: Fe3 P4 O20 H12
compound: <missing>
pub_title: The crystal structure of FeFe2(PO3OH)4(H2O)4: a new synthetic compound of mineralogic interest
formula_title: FeFe2(PO3OH)4(H2O)4
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pub_title:
 High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
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 Sample: T = 24 deg C, before heating
 O2x has been corrected

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pub_title:
 High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
 from the Harding pegmatite, Taos County, New Mexico
 Sample: T = 500 deg C

atoms_sites:
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pub_title:
 High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
 from the Harding pegmatite, Taos County, New Mexico
 Sample: T = 800 deg C

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pub_title:
 High-temperature structure and crystal chemistry of hydrous alkali-rich beryl
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 Sample: T = 24 deg C, after heating

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compound: Amelia, Virginia, USA
pub_title: Low albite, NaAlSi3O8: Neutron diffraction study of crystal structure at 13 K Note: T = 13 K
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formula: (Al1.98 Fe.02) Si O5
compound: <missing>
pub_title: Neutron diffraction studies of sillimanite
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pub_title:
 Role of Na in the structure of low-cordierite: A single-crystal X-ray study
 Sample: from Alpe Sponda, Central Alps, Switzerland

atoms_sites:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Role of Na in the structure of low-cordierite: A single-crystal X-ray study
 Sample: from Kemio Island, Finland

atoms_sites:
["O11", "O16", "O13", "O26", "O21", "O23", "Al11", "Be11", "Si16", "Si21", "Si23", "Al26", "Mg", "Fe", "Li", "NaCh0", "O-HCh1"]

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formula_title: <missing>
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pub_title:
 Role of Na in the structure of low-cordierite: A single-crystal X-ray study
 Sample: from a pelitic schist, south-central Maine, USA (Ferry)

atoms_sites:
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pub_title:
 Role of Na in the structure of low-cordierite: A single-crystal X-ray study
 Sample: from Haddam, Connecticut, USA

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pub_title: Crystal structure and chemistry of MnSiO3 tetragonal garnet
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pub_title:
 Crystal chemistry of some Fe- and Ti-poor dumortierites
 Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA

atoms_sites:
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pub_title:
 Crystal chemistry of some Fe- and Ti-poor dumortierites
 Sample: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA
 O5y and O11x have been editted

atoms_sites:
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pub_title:
 Crystal chemistry of some Fe- and Ti-poor dumortierites
 Sample: #10, USNM 96698, from Petaca, New Mexco, USA

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pub_title:
 Crystal chemistry of some Fe- and Ti-poor dumortierites
 Sample: #11, USNM 141800, from Ambositra, Madagascar

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Anisotropic refinement, Temperature = 24 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Anisotropic refinement, Temperature = 200 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Anisotropic refinement, Temperature = 400 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Anisotropic refinement, Temperature = 600 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Rigid-body refinement, Temperature = 24 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Rigid-body refinement, Temperature = 200 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Rigid-body refinement, Temperature = 400 deg C

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pub_title:
 High-temperature crystal chemistry of dolomite
 Sample: Rigid-body refinement, Temperature = 600 deg C

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compound: <missing>
pub_title: Structure refinement of calzirtite from Jacupiranga, Brazil
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pub_title:
 Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed
 sulfate-nitrate mineral
 Note U(1,2) for N and Na1 have been altered to match symmetry constraints.

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = .001 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 21 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 42 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 62 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = .001 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 18 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 36 kbar

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pub_title:
 High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH)
 Sample: Pressure = 57 kbar

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pub_title: Crystal structure of Cu-bearing vesuvianite
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formula: Ca Mg2.27 Al3.372 Fe.158 Ti.006 Si1.2 O12 H2
compound: <missing>
pub_title: Neutron-diffraction and Mossbauer spectroscopic study of clintonite (xanthophyllite)
formula_title: <missing>
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b: 9.0126
c: 9.8145
alpha: 90
beta: 100.26
gamma: 90
cell_volume: 452.929
crystal_density: 3.102
atoms_sites: ["Ca", "Mg1", "Al1", "Fe1", "Mg2", "Al2", "Ti2", "Si3", "Al3", "Fe3", "O1", "O2", "O3", "O4", "H"]
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formula: Ba (Cr.9 S.1) O4
compound: from a stone quarry 60 km southeast of Amman, west-central Jordan
pub_title: Crystal structure of hashemite, BaCrO4, a barite structure type
formula_title: <missing>
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b: 5.5276
c: 7.3314
alpha: 90
beta: 90
gamma: 90
cell_volume: 368.891
crystal_density: 4.525
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formula: Mn3 P2 O15 H7
compound: <missing>
formula_title: <missing>
a: 8.528
b: 13.166
c: 11.812
alpha: 90
beta: 110.05
gamma: 90
cell_volume: 1245.868
crystal_density: 2.526
atoms_occupancy: 0
atoms_aniso_label: ["Mn1", "Mn2", "Mn3", "P1", "P2"]
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pub_title:
 Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to
 metaswitzerite, Mn3(PO4)2.4H2O

atoms_sites:
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formula: Mg3 P2 O16
compound: <missing>
pub_title: Crystal structures of bobierrite and synthetic Mg3(PO4)2(H2O)8
formula_title: <missing>
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b: 27.926
c: 10.067
alpha: 90
beta: 105.01
gamma: 90
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formula: Mg3 P2 O16
compound: <missing>
pub_title: Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O
formula_title: <missing>
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b: 13.407
c: 4.657
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beta: 105.09
gamma: 90
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formula: Ca2 Cu B2 O12 H12
compound: <missing>
formula_title: <missing>
a: 5.7617
b: 7.9774
c: 5.6488
alpha: 109.611
beta: 91.473
gamma: 83.686
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crystal_density: 2.524
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pub_title:
 Henmilite, Ca2Cu(OH)4[B(OH)4]2, a new mineral from Fuka, Okayama Prefecture,
 Japan. II. Crystal structure

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formula: Ca.98 Na1.97 (Al3.96 Si4.04) O16
compound: <missing>
pub_title: Crystal structure of lisetite, CaNa2Al4Si4O16
formula_title: <missing>
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gamma: 90
cell_volume: 1362.473
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formula: Ca.24 Na.26 (Al.735 Si1.265) O4
compound: Hogarth Ranges, Australia
pub_title: Average structure of an An48 plagioclase from the Hogarth Ranges Sample: Neutron data
formula_title: <missing>
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b: 12.880
c: 7.112
alpha: 93.44
beta: 116.21
gamma: 90.23
cell_volume: 670.583
crystal_density: 2.673
atoms_u_iso: 0
atoms_sites:
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formula: Ca.24 Na.26 (Al.735 Si1.265) O4
compound: Hogarth Ranges, Australia
pub_title: Average structure of an An48 plagioclase from the Hogarth Ranges Sample: X-ray data
formula_title: <missing>
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compound: <missing>
pub_title: Crystal-chemical aspects of nonstoichiometric pyroxenes Sample: Full-occupancy model
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formula: Fe.082 Al.758 Mg.205 Ca.286 Na.602 Si2 O6
compound: <missing>
pub_title: Crystal-chemical aspects of nonstoichiometric pyroxenes Sample: Vacancy model I
formula_title: <missing>
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formula: Fe.082 Al.758 Mg.205 Ca.286 Na.602 Si2 O6
compound: <missing>
pub_title: Crystal-chemical aspects of nonstoichiometric pyroxenes Sample: Vacancy model II
formula_title: <missing>
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c: 5.238
alpha: 90
beta: 107.23
gamma: 90
cell_volume: 411.350
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formula: Fe4.74 Si3 O12
compound: <missing>
formula_title: <missing>
a: 4.805
b: 10.189
c: 17.403
alpha: 91.0
beta: 90
gamma: 90
cell_volume: 851.889
crystal_density: 4.218
atoms_aniso_label: ["Fe1A", "Fe1B", "Fe2A", "Fe2B", "Fe2C", "SiA", "SiB", "SiC"]
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pub_title:
 Superstructure of laihunite-3M (_.40Fe.80Fe.80SiO4)
 Sample: Superstructure
 Fe1B-y coordinate changed by Tamada (Aug, 2001)

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formula: Fe.513 Al4.486 Co.138 Ti.032 Zn.01 Si1.864 Mg.308 Mn.01 (O12 H)
compound: <missing>
formula_title: <missing>
a: 7.872
b: 16.608
c: 5.648
alpha: 90
beta: 90.04
gamma: 90
cell_volume: 738.409
crystal_density: 3.719
pub_title:
 Staurolite-lusakite series. II. Crystal structure and optical properties of a
 cobaltoan staurolite
 Note: a-cell parameter corrected by Griffen, Aug 2001.

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formula: Al2.38 Si.62 O4.77
compound: <missing>
pub_title: Crystal structure of mullite: A re-examination of the average structure
formula_title: <missing>
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b: 7.6817
c: 2.8864
alpha: 90
beta: 90
gamma: 90
cell_volume: 168.034
crystal_density: 3.122
atoms_sites: ["Al", "AlT", "SiT", "AlT*", "SiT*", "Oab", "Oc", "Oc*", "Od"]
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formula: Si17.49 Al13.338 Ca18.94 Mn.06 Mg.372 O78 H9
compound: <missing>
pub_title: Crystal structure of a non-P4/nnc vesuvianite from Asbestos, Quebec
formula_title: <missing>
a: 15.504
b: 15.504
c: 11.808
alpha: 90
beta: 90
gamma: 90
cell_volume: 2838.336
crystal_density: 3.369
atoms_sites:
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atoms_x:

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formula: Ca U2 Si2 O17 H2
compound: Roessing, South-West Africa
pub_title: Refined crystal structure of beta-uranophane, Ca(UO2)2(SiO3OH)2.5H2O
formula_title: <missing>
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b: 15.443
c: 6.632
alpha: 90
beta: 91.38
gamma: 90
cell_volume: 1429.955
crystal_density: 3.931
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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formula: Ca Si6 Al2 O16 H5
compound: <missing>
pub_title: Crystal structure of the zeolite mineral goosecreekite, CaAl2Si6O16.5H2O
formula_title: <missing>
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formula: Fe.61 Al1.34 Ca.97 Si1.08 O6
compound: <missing>
pub_title: Chemistry and structure of esseneite (CaFeAlSiO6), a new pyroxene produced by pyrometamorphism
formula_title: <missing>
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b: 8.822
c: 5.37
alpha: 90
beta: 105.81
gamma: 90
cell_volume: 446.248
crystal_density: 3.504
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formula: Na2 Ti2 Si2 O9
compound: <missing>
pub_title: Refinement of the crystal structure of ramsayite (lorenzenite)
formula_title: <missing>
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b: 5.2327
c: 14.487
alpha: 90
beta: 90
gamma: 90
cell_volume: 660.484
crystal_density: 3.438
atoms_sites: ["Na", "Ti", "Si", "O1", "O2", "O3", "O4", "O5"]
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formula: Ca Mg C2 O6
compound: <missing>
formula_title: <missing>
a: 4.811
b: 4.811
c: 16.047
alpha: 90
beta: 90
gamma: 120
cell_volume: 321.659
crystal_density: 2.856
atoms_sites: ["Ca", "Mg", "C", "O"]
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atoms_y: AAAAAAAAAAAAAAAAIOY6AA==
atoms_z: AAAAAICEHgDg1A4AEOYOAA==
atoms_occupancy: 0
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atoms_aniso_label: ["Ca", "Mg", "C", "O"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAENz//w==
atoms_aniso_u23: AAAAAAAAAAAAAAAAINH//w==
pub_title:
 TEM observations and X-ray crystal-structure refinement of a twinned dolomite
 with a modulated microstructure

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formula: (Ti2.41 V2.295 Fe2.295) Ba.35 As.94 O14
compound: <missing>
formula_title: <missing>
a: 7.105
b: 14.217
c: 5.043
alpha: 90
beta: 104.97
gamma: 90
cell_volume: 492.114
crystal_density: 4.744
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pub_title:
 Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and
 relationship to derbylite and tomichite

atoms_sites:
["Ti1", "V1", "Fe1", "Ti2", "V2", "Fe2", "Ti3", "V3", "Fe3", "Ba", "As", "O1", "O2", "O3", "O4", "O5"]

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formula: (Ti2.98 V3.02 Fe) As O14
compound: <missing>
formula_title: <missing>
a: 7.119
b: 14.176
c: 4.992
alpha: 90
beta: 105.1
gamma: 90
cell_volume: 486.393
crystal_density: 4.447
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and
 relationship to derbylite and tomichite

atoms_sites:
["Ti1", "V1", "Fe1", "Ti2", "V2", "Fe2", "Ti3", "V3", "Fe3", "Ti4", "V4", "Fe4", "As", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

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formula: K3 Ca2 F S3 O12
compound: <missing>
pub_title: Crystal structure of the apatite-like compound K3Ca2(SO4)3F
formula_title: K3Ca2(SO4)3F
a: 13.415
b: 10.493
c: 9.127
alpha: 90
beta: 90
gamma: 90
cell_volume: 1284.749
crystal_density: 2.609
atoms_aniso_label: ["K1", "K2", "K3", "Ca1", "Ca2"]
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formula: (Ca.51 Mn.49) C O3
compound: <missing>
formula_title: <missing>
a: 4.8732
b: 4.8732
c: 16.349
alpha: 90
beta: 90
gamma: 120
cell_volume: 336.241
crystal_density: 3.181
atoms_sites: ["CaA", "MnA", "CaB", "MnB", "C", "O"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAACgExAA
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAwAT0A
atoms_z: AAAAAAAAAACAhB4AgIQeAHA6DwAAPA8A
atoms_occupancy: QOgdAMAgHwBAWSAAwK8cAAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["CaA", "MnA", "CaB", "MnB", "C", "O"]
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pub_title:
 Petrologic and crystal-chemical implications of cation order-disorder in
 kutnahorite (CaMn(CO3)2)
 Sample: Bald Knob kutnahorite
 Note: B(1,2) for MnA/CaA has been altered to match symmetry constraints.
 Note: B(1,1) and B(2,2) for CaB/MnB have been corrected.

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formula: (Ca.555 Mn.445) C O3
compound: <missing>
formula_title: <missing>
a: 4.894
b: 4.894
c: 16.50
alpha: 90
beta: 90
gamma: 120
cell_volume: 342.249
crystal_density: 3.106
atoms_sites: ["CaA", "MnA", "CaB", "MnB", "C", "O"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAACArA8A
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAACgHjwA
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atoms_aniso_label: ["CaA", "MnA", "CaB", "MnB", "C", "O"]
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pub_title:
 Petrologic and crystal-chemical implications of cation order-disorder in
 kutnahorite (CaMn(CO3)2)
 Sample: Sterling Hill kutnahorite

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formula: Mg Si O3
compound: Synthetic
pub_title: Perovskite-type MgSiO3: Single-crystal X-ray diffraction study
formula_title: <missing>
a: 4.7754
b: 4.9292
c: 6.8969
alpha: 90
beta: 90
gamma: 90
cell_volume: 162.345
crystal_density: 4.107
atoms_sites: ["Mg", "Si", "O1", "O2"]
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formula: K Na1.41 Y Si8 O23.13
compound: <missing>
formula_title: <missing>
a: 9.512
b: 23.956
c: 9.617
alpha: 90
beta: 93.85
gamma: 90
cell_volume: 2186.475
crystal_density: 2.294
atoms_u_iso: 0
pub_title:
 Symmetry and crystal structure of monteregianite, Na4K2Y2Si16O38.10H2O, a
 double-sheet silicate with zeolitic properties
 Note: Several bond lengths cannot be reproduced with this data, but the authors
 no longer have the original data, so they cannot check

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_aniso_label:
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formula: Ni Ca Si2 O6
compound: <missing>
formula_title: CaNiSi2O6
a: 9.734
b: 8.891
c: 5.228
alpha: 90
beta: 105.87
gamma: 90
cell_volume: 435.212
crystal_density: 3.830
atoms_sites: ["Ni1", "Ca2", "SiT", "O1", "O2", "O3"]
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pub_title:
 Crystal structures of CaNiSi2O6 and CaCoSi2O6 and some crystal-chemical
 relations in C2/c clinopyroxenes

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formula: Co Ca Si2 O6
compound: <missing>
formula_title: CaCoSi2O6
a: 9.806
b: 8.950
c: 5.243
alpha: 90
beta: 105.45
gamma: 90
cell_volume: 443.517
crystal_density: 3.762
atoms_sites: ["Co1", "Ca2", "SiT", "O1", "O2", "O3"]
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atoms_aniso_label: ["Co1", "Ca2", "SiT", "O1", "O2", "O3"]
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pub_title:
 Crystal structures of CaNiSi2O6 and CaCoSi2O6 and some crystal-chemical
 relations in C2/c clinopyroxenes

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formula: Cu2 V2 O7
compound: <missing>
formula_title: <missing>
a: 20.676
b: 8.392
c: 6.446
alpha: 90
beta: 90
gamma: 90
cell_volume: 1118.465
crystal_density: 4.050
atoms_sites: ["Cu", "V", "O1", "O2", "O3", "O4"]
atoms_x: MCAKAEAiDAAA3QkAYPoOAADKCABAQg8A
atoms_y: 8DUWAEC7GAAwQhUAAEciAGCZGgBAQg8A
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atoms_aniso_u23: MNX//2gVAAA=
pub_title:
 Blossite, alpha-Cu2V2O7, a new fumarolic sublimate from Izalco volcano, El Salvador
 - data obtained by personal communication, May 2003.

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formula: (K.93 Na.07) Al2.73 Fe.16 Si3.1 O11.83 (F.17 H1.83)
compound: <missing>
formula_title: <missing>
a: 5.200
b: 9.021
c: 20.07
alpha: 90
beta: 95.71
gamma: 90
cell_volume: 936.796
crystal_density: 2.850
atoms_sites: ["K", "Na", "Al", "Fe", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "O-H", "F"]
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pub_title:
 Muscovite dehydroxylation: High-temperature studies
 Sample: T = 20 deg C, from Diamond mine, Keystone, South Dakota

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formula: (K.93 Na.07) Al2.73 Fe.16 Si3.1 O11.83 (F.17 H1.83)
compound: <missing>
formula_title: <missing>
a: 5.215
b: 9.053
c: 20.15
alpha: 90
beta: 95.72
gamma: 90
cell_volume: 946.573
crystal_density: 2.821
atoms_sites: ["K", "Na", "Al", "Fe", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "O-H", "F"]
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pub_title:
 Muscovite dehydroxylation: High-temperature studies
 Sample: T = 300 deg C, from Diamond mine, Keystone, South Dakota

qdat:
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formula: K Al2.908 Si3.092 O11.88 (F.12 H1.88)
compound: <missing>
formula_title: <missing>
a: 5.1579
b: 8.950
c: 20.071
alpha: 90
beta: 95.75
gamma: 90
cell_volume: 921.880
crystal_density: 2.872
atoms_sites: ["K", "Al", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "O-H", "F"]
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pub_title:
 Muscovite dehydroxylation: High-temperature studies
 Sample: T = 20 deg C, from Panasqueira, Portugal

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formula: K Al2.908 Si3.092 O11.88 (F.12 H1.88)
compound: <missing>
formula_title: <missing>
a: 5.182
b: 8.993
c: 20.232
alpha: 90
beta: 95.75
gamma: 90
cell_volume: 938.102
crystal_density: 2.823
atoms_sites: ["K", "Al", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "O-H", "F"]
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pub_title:
 Muscovite dehydroxylation: High-temperature studies
 Sample: T = 525 deg C, from Panasqueira, Portugal

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compound: <missing>
formula_title: <missing>
a: 5.189
b: 9.004
c: 20.256
alpha: 90
beta: 95.74
gamma: 90
cell_volume: 941.651
crystal_density: 2.571
atoms_sites: ["K", "Al", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "O-H"]
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pub_title:
 Muscovite dehydroxylation: High-temperature studies
 Sample: T = 650 deg C, from Panasqueira, Portugal

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compound: <missing>
formula_title: <missing>
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b: 18.094
c: 5.2986
alpha: 90
beta: 105.364
gamma: 90
cell_volume: 918.965
crystal_density: 3.058
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pub_title:
 Characterization of synthetic pargasitic amphiboles
 (NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy,
 Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy
 Sample: ScPA-A5

atoms_sites:
["O1", "O2", "O-H3", "O4", "O5", "O6", "O7", "SiT1", "AlT1", "SiT2", "AlT2", "MgM1", "MgM2", "ScM2", "MgM3", "ScM3", "CaM4", "NaA"]

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compound: <missing>
formula_title: <missing>
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c: 5.2931
alpha: 90
beta: 105.168
gamma: 90
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pub_title:
 Characterization of synthetic pargasitic amphiboles
 (NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy,
 Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy
 Sample: FPA-BUL

atoms_sites:
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formula_title: <missing>
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pub_title:
 Characterization of synthetic pargasitic amphiboles
 (NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy,
 Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy
 Sample: FCrPA-A3

atoms_sites:
["O1", "O2", "F3", "O4", "O5", "O6", "O7", "SiT1", "AlT1", "SiT2", "AlT2", "MgM1", "CrM1", "MgM2", "CrM2", "MgM3", "CaM4", "NaA"]

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pub_title:
 Characterization of synthetic pargasitic amphiboles
 (NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy,
 Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy
 Sample: FGaPA-A3

atoms_sites:
["O1", "O2", "F3", "O4", "O5", "O6", "O7", "SiT1", "AlT1", "SiT2", "AlT2", "MgM1", "MgM2", "GaM2", "MgM3", "GaM3", "CaM4", "NaA"]

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formula_title: <missing>
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alpha: 90
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pub_title:
 Characterization of synthetic pargasitic amphiboles
 (NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy,
 Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy
 Sample: FScPA-A3

atoms_sites:
["O1", "O2", "F", "O4", "O5", "O6", "O7", "SiT1", "AlT1", "SiT2", "AlT2", "MgM1", "ScM1", "MgM2", "ScM2", "MgM3", "CaM4", "NaA"]

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formula: (Co.261 Mg1.739) Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co03
formula_title: <missing>
a: 4.760
b: 10.221
c: 5.984
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.133
crystal_density: 3.416
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formula: (Co.401 Mg1.599) Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co05
formula_title: <missing>
a: 4.765
b: 10.225
c: 5.986
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.651
crystal_density: 3.520
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formula: (Co.953 Mg1.047) Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co10
formula_title: <missing>
a: 4.771
b: 10.245
c: 5.988
alpha: 90
beta: 90
gamma: 90
cell_volume: 292.687
crystal_density: 3.942
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formula: (Co1.405 Mg.595) Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co15
formula_title: <missing>
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b: 10.277
c: 5.995
alpha: 90
beta: 90
gamma: 90
cell_volume: 294.437
crystal_density: 4.271
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formula: (Co1.735 Mg.265) Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co18
formula_title: <missing>
a: 4.780
b: 10.290
c: 5.997
alpha: 90
beta: 90
gamma: 90
cell_volume: 294.970
crystal_density: 4.521
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formula: Co2 Si O4
compound: <missing>
pub_title: Cation ordering in Co-Mg olivine solid-solution series Sample: Co20
formula_title: <missing>
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b: 10.296
c: 5.998
alpha: 90
beta: 90
gamma: 90
cell_volume: 295.253
crystal_density: 4.723
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formula: Si9 Ca7.9 Ce1.86 Mg2 Fe3 Al2 O39 H
compound: <missing>
pub_title: Crystal structure of a REE-bearing vesuvianite from San Benito County, California
formula_title: <missing>
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b: 15.799
c: 11.917
alpha: 90
beta: 90
gamma: 90
cell_volume: 2974.583
crystal_density: 3.852
atoms_sites:
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formula: As2 Zn O4
compound: <missing>
pub_title: Leiteite, ZnAs2O4: A novel type of tetrahedral layer structure with arsenite chains
formula_title: <missing>
a: 4.542
b: 5.022
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compound: <missing>
pub_title: Structure of a new upper-mantle, magnetoplumbite-type phase, Ba(Ti3Cr4Fe4Mg)O19
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compound: Minas Ragra, Cerro de Pasco, Peru
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pub_title:
 Crystal structure and crystal chemistry of melanovanadite,
 a natural vanadium bronze
 note: reportd Uiso values seem off by a factor of 10, so they have been modified

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formula: Mg Ca Si O4
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 High-pressure crystal chemistry of monticellite, CaMgSiO4
 Sample: P = .001 kbar
 Note: O1x changed to reproduce its bond lengths

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formula: Mg Ca Si O4
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formula_title: <missing>
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pub_title:
 High-pressure crystal chemistry of monticellite, CaMgSiO4
 Sample: P = 11.1 kbar, collected with 4-mm-diameter apertures

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formula: Mg Ca Si O4
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pub_title:
 High-pressure crystal chemistry of monticellite, CaMgSiO4
 Sample: P = 11.1 kbar, collected with 8-mm-diameter apertures

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formula: Mg Ca Si O4
compound: <missing>
pub_title: High-pressure crystal chemistry of monticellite, CaMgSiO4 Sample: P = 20.7 kbar
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formula: Mg Ca Si O4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 333.120
crystal_density: 3.120
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pub_title:
 High-pressure crystal chemistry of monticellite, CaMgSiO4
 Sample: P = 29.1 kbar
 Note: Cannot reproduce many of the published bond lengths

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formula: Mg Ca Si O4
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formula: Mg Ca Si O4
compound: <missing>
pub_title: High-pressure crystal chemistry of monticellite, CaMgSiO4 Sample: P = 61.7 kbar
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compound: <missing>
pub_title: Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3 Sample: T = 100 K
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formula: Ca3 Al2 O12 D12
compound: <missing>
pub_title: Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3 Sample: T = 200 K
formula_title: <missing>
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b: 12.5530
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alpha: 90
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cell_volume: 1978.074
crystal_density: 2.622
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formula: Ca3 Al2 O12 D12
compound: <missing>
pub_title: Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3 Sample: T = 300 K
formula_title: <missing>
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b: 12.5695
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alpha: 90
beta: 90
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cell_volume: 1985.885
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formula: Ca3 Al2 O12 H12
compound: <missing>
formula_title: <missing>
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b: 12.565
c: 12.565
alpha: 90
beta: 90
gamma: 90
cell_volume: 1983.752
crystal_density: 2.533
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pub_title:
 Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
 Sample: T = 300 K, X-ray 1, with H

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compound: <missing>
formula_title: <missing>
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pub_title:
 Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
 Sample: T = 300 K, X-ray 2, without H

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formula: Ca3 Al2 Si3 O12
compound: <missing>
pub_title: Neutron-diffraction structure of a low-water grossular at 20K
formula_title: <missing>
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formula: Si Be2 O4
compound: <missing>
pub_title: An exploratory examination of the electron density and electrostatic potential of phenakite
formula_title: <missing>
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cell_volume: 1111.500
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formula: P3 Be3 O15.01 K Li1.44 Na.84 Ca.36 H3.01
compound: <missing>
formula_title: <missing>
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cell_volume: 551.967
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pub_title:
 Crystal structure of tiptopite, a framework beryllophosphate isotypic with basic
 cancrinite
 Note: U(1,2) for OH5 has been altered to match symmetry constraints.

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formula: Bi11.536 Pb27.684 Sb6.78 (Cu1.3 Fe.7) S57
compound: <missing>
pub_title: (Sb,Bi,Pb) ordering in sulfosalts: Crystal-structure refinement of a Bi-rich izoklakeite
formula_title: <missing>
a: 34.221
b: 37.933
c: 4.063
alpha: 90
beta: 90
gamma: 90
cell_volume: 5274.202
crystal_density: 6.877
atoms_sites:
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formula: Si2 Mg3 O9 H4
compound: <missing>
formula_title: <missing>
a: 5.318
b: 5.318
c: 14.541
alpha: 90
beta: 90
gamma: 120
cell_volume: 356.141
crystal_density: 2.584
atoms_sites: ["Si", "Mg", "O1", "O2", "O3", "O4", "H3", "H4"]
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pub_title:
 Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
 Sample: Lizardite-2H1
 Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints

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formula: Si2 Mg3 O9 H4
compound: <missing>
formula_title: <missing>
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b: 5.325
c: 7.259
alpha: 90
beta: 90
gamma: 120
cell_volume: 178.257
crystal_density: 2.581
atoms_sites: ["Si", "Mg", "O1", "O2", "O3", "O4", "H3", "H4"]
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pub_title:
 Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
 Sample: Lizardite-1T
 Note: U(1,2) for Mg/O3 altered to match symmetry constraints.
 Note: Thermal ellipsoid for O1 is non-positive definite

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formula: O22 F2 Si8 Mg4.094 Sc.906 Na3
compound: <missing>
formula_title: <missing>
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b: 18.0634
c: 5.2926
alpha: 90
beta: 103.650
gamma: 90
cell_volume: 914.008
crystal_density: 2.994
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pub_title:
 Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement
 Sample: FScEC-A3

atoms_sites:
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compound: <missing>
formula_title: <missing>
a: 9.8527
b: 18.0966
c: 5.2928
alpha: 90
beta: 103.521
gamma: 90
cell_volume: 917.553
crystal_density: 3.229
atoms_sites: ["O1", "O2", "F3", "O4", "O5", "O6", "O7", "Si1", "Si2", "Mg1", "Mg2", "In2", "Mg3", "Na4", "NaA"]
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pub_title:
 Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement
 Sample: FInEC-A3

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compound: <missing>
formula_title: <missing>
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b: 18.157
c: 5.3381
alpha: 90
beta: 103.979
gamma: 90
cell_volume: 925.721
crystal_density: 3.017
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pub_title:
 Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement
 Sample: FScNY-A3

atoms_sites:
["O1", "O2", "F3", "O4", "O5", "O6", "O7", "Si1", "Al1", "Si2", "Mg1", "Mg2", "Sc2", "Mg3", "Na4", "NaA"]

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formula: Mg2 Si O4
compound: <missing>
formula_title: <missing>
a: 4.749
b: 10.1985
c: 5.9792
alpha: 90
beta: 90
gamma: 90
cell_volume: 289.589
crystal_density: 3.227
atoms_sites: ["Mg1", "Mg2", "Si", "O1", "O2", "O3"]
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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = 0.00

qdat:
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formula: (Mg1.4 Ni.6) Si O4
compound: <missing>
formula_title: <missing>
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b: 10.1993
c: 5.9567
alpha: 90
beta: 90
gamma: 90
cell_volume: 288.260
crystal_density: 3.717
atoms_sites: ["Mg1", "Ni1", "Mg2", "Ni2", "Si", "O1", "O2", "O3"]
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atoms_aniso_label: ["Mg1", "Ni1", "Mg2", "Ni2", "Si", "O1", "O2", "O3"]
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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .30

qdat:
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formula: (Mg1.276 Ni.724) Si O4
compound: <missing>
formula_title: <missing>
a: 4.7437
b: 10.1947
c: 5.9508
alpha: 90
beta: 90
gamma: 90
cell_volume: 287.784
crystal_density: 3.822
atoms_sites: ["Mg1", "Ni1", "Mg2", "Ni2", "Si", "O1", "O2", "O3"]
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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .36

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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .51

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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .69

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formula: (Mg.5 Ni1.5) Si O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .75

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formula: Ni2 Si O4
compound: <missing>
formula_title: <missing>
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pub_title:
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = 1.00

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formula: K (Al Si3) O8
compound: <missing>
pub_title: Crystal-structure refinement of high sanidine from the upper mantle
formula_title: <missing>
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b: 13.028
c: 7.175
alpha: 90
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cell_volume: 722.482
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formula: Si2 Be4 H2 O9
compound: <missing>
pub_title: Neutron-diffraction study of bertrandite Note: O2y has been corrected
formula_title: <missing>
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b: 15.268
c: 4.5683
alpha: 90
beta: 90
gamma: 90
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crystal_density: 2.604
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formula: Cu1.59 Fe2 V3 O12
compound: <missing>
formula_title: <missing>
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b: 17.207
c: 4.910
alpha: 90
beta: 90
gamma: 90
cell_volume: 869.872
crystal_density: 4.257
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atoms_aniso_u23: 6K0AADj7/v+Q8v//KCgAAEj5//8oKAAAsIf//yC9//9Ajv//4FYAAOBCAAAgvf//
pub_title:
 Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco
 volcano, El Salvador: Descriptive mineralogy and crystal structure

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formula: Ce Ti2 O6
compound: <missing>
pub_title: Lucasite-(Ce), CeTi2(O,OH)6, a new mineral from Western Australia: Its description and structure
formula_title: <missing>
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b: 8.756
c: 9.768
alpha: 90
beta: 93.52
gamma: 90
cell_volume: 442.032
crystal_density: 4.987
atoms_sites: ["Ce", "Ti", "O1", "O2", "O3"]
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formula: Si54.16 O202.96 C16 Y24 K10.4 Na8.26 H14.8
compound: <missing>
formula_title: <missing>
a: 23.994
b: 23.994
c: 17.512
alpha: 90
beta: 90
gamma: 90
cell_volume: 10081.868
crystal_density: 2.538
atoms_u_iso: 0
pub_title:
 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
 structure with enormous polyanions
 Sample: investigated by Moore, Sen Gupta, Schlemper

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

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formula: Si25.92 O103.36 C8 (Y10.28 Ca1.72) K5 Na5.4 B2.08 H9.1
compound: <missing>
formula_title: <missing>
a: 24.039
b: 24.039
c: 17.538
alpha: 90
beta: 90
gamma: 90
cell_volume: 10134.745
crystal_density: 2.498
pub_title:
 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
 structure with enormous polyanions
 Sample: investigated by Merlino

atoms_sites:
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formula: As6 Mn5 Fe Ca2.121 Na.73 O26 H4
compound: the old manganese mine, Falotta, Graubunden, Switzerland
pub_title: Crystal structure of grischunite
formula_title: <missing>
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b: 13.487
c: 12.047
alpha: 90
beta: 90
gamma: 90
cell_volume: 2088.653
crystal_density: 4.140
atoms_sites:
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formula: U6 Ca O30
compound: Shaba, Zaire
formula_title: <missing>
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b: 12.3781
c: 14.9238
alpha: 90
beta: 90
gamma: 90
cell_volume: 2556.233
crystal_density: 5.062
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pub_title:
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite

atoms_sites:
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formula: U6 Ba O23
compound: Shinkolobwe mine, Shaba, Zaire
formula_title: <missing>
a: 12.0720
b: 30.167
c: 7.1455
alpha: 90
beta: 90
gamma: 90
cell_volume: 2602.220
crystal_density: 4.935
atoms_occupancy: 0
atoms_aniso_label: ["U1", "U2", "U3", "U4", "U5", "U6", "Ba"]
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pub_title:
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite
 Note: y-coordinate of O601u atom changed to make calculated bond lengths
 match those published

atoms_sites:
["U1", "U2", "U3", "U4", "U5", "U6", "Ba", "O101u", "O102u", "O201u", "O202u", "O301u", "O302u", "O401u", "O402u", "O501u", "O502u", "O601u", "O602u", "O1h", "O2o", "O3o", "O4h", "O5h", "O11o", "O12h", "O13h", "O14o", "O15h", "O16w"]

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formula: U3 Ba O14
compound: Shinkolobwe mine, Shaba, Zaire
formula_title: <missing>
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b: 7.2206
c: 6.9558
alpha: 90
beta: 90.401
gamma: 90
cell_volume: 617.497
crystal_density: 5.784
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pub_title:
 Crystal structures and crystal chemistry of the uranyl oxide hydrates
 becquerelite, billietite, and protasite

atoms_sites:
["U1", "U2", "U3", "Ba", "O101u", "O102u", "O201u", "O202u", "O301u", "O302u", "O1o", "O2o", "O3h", "O4h", "O5o", "O6w", "O7w", "O8w"]

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formula: Hg4.1 Ag4.4 S4.1 Cl2 Br.8 I1.6
compound: <missing>
formula_title: <missing>
a: 17.43
b: 12.24
c: 4.35
alpha: 90
beta: 90
gamma: 90
cell_volume: 928.043
crystal_density: 6.321
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure and crystal chemistry of perroudite:
 A mineral from Coppin Pool, Western Australia

atoms_sites:
["Hg1", "Hg2", "Hg3", "Ag3", "Ag1", "Ag2", "S1", "S2", "Cl2", "S3", "Cl3", "Cl4", "Br4", "Br5", "I5"]

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formula: Fe2.18 Ti.42 O4
compound: Pretoria, South Africa
pub_title: Studies of the crystal structure and crystal chemistry of titanomaghemite
formula_title: <missing>
a: 8.341
b: 8.341
c: 8.341
alpha: 90
beta: 90
gamma: 90
cell_volume: 580.302
crystal_density: 4.712
atoms_sites: ["Fe3+", "Fe2+", "Ti4+", "Fe3+", "Fe3+", "Fe2+", "Ti4+", "O1", "O2"]
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atoms_u_iso: 0
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formula: Ca Na2 P2 O11 H4
compound: <missing>
formula_title: <missing>
a: 5.673
b: 8.48
c: 10.529
alpha: 90
beta: 106.13
gamma: 90
cell_volume: 486.579
crystal_density: 2.239
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pub_title:
 Pyrophosphate groups in the structure of canaphite, CaNa2P2O7.4(H2O): The
 first occurrence of a condensed phosphate as a mineral

atoms_sites:
["Ca", "Na1", "Na2", "P1", "P2", "O1", "O-H2", "O3", "O-H4", "O5", "O6", "O-H7", "O-H8", "O9", "O10", "O11"]

atoms_aniso_label:
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qdat:
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formula: Cu2 Fe4 V6 Na2 O24
compound: <missing>
formula_title: <missing>
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b: 9.773
c: 6.6510
alpha: 103.82
beta: 101.99
gamma: 106.74
cell_volume: 473.098
crystal_density: 3.812
atoms_u_iso: 0
pub_title:
 Howardevansite, NaCuFe2(VO4)3, a new fumarolic sublimate from
 Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
 Note: Displacement ellipsoid for Na1 is not positive-definite

atoms_sites:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
 assemblage (Monte Rosa)
 Sample at 25 C

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pub_title:
 Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure
 assemblage (Monte Rosa)
 Sample at 700 C

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compound: <missing>
pub_title: Structure and crystal chemistry of clintonite Sample from Chichibu mine
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compound: <missing>
pub_title: Structure and crystal chemistry of clintonite Sample from Ertsberg, Irian Jaya
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compound: <missing>
pub_title: Structure and crystal chemistry of clintonite Sample from Edenvill, Orange Country, New York
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pub_title: Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
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formula_title: <missing>
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pub_title:
 Crystal structures of cetineite and its synthetic Na analogue
 Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
 Sample: Synthetic Na analogue

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formula: (Mn1.25 Mg.75) (Fe.5 Sb.5) O4
compound: Langban, Varmland, Sweden
formula_title: <missing>
a: 8.640
b: 8.640
c: 8.640
alpha: 90
beta: 90
gamma: 90
cell_volume: 644.973
crystal_density: 4.937
atoms_sites: ["Mn", "Mg", "Fe", "Sb", "O"]
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pub_title:
 Filipstadite, a new Mn-Fe3+-Sb derivative of spinel, from Lanban, Sweden
 Note: cubic subcell, O arbitrarily placed in ideal eutactic position

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formula: Ca9.9 Fe3.08 Al7.02 Si12 O48
compound: <missing>
formula_title: <missing>
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pub_title:
 XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
 Sample: before heating
 Note: Data was obtained from the ICSD

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compound: <missing>
formula_title: <missing>
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pub_title:
 XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
 Sample: after heating
 Note: Data was obtained from the ICSD

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Antarctica

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Norway

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Eifel-B93

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Eifel-Nickenich

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Japan-Shimizu

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Japan-Hayasaki

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Sardinia

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pub_title:
 Crystal chemistry of double-ring silicates: Structural, chemical, and optical
 variation in osumilites
 Sample: Oregon

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pub_title:
 Crystal chemistry of double-ring silicates: Structures of sugilite and
 brannockite
 Note: x-coordinate of Na has been corrected

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pub_title:
 Crystal chemistry of double-ring silicates: Structures of sugilite and
 brannockite
 Sample: small domain

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formula: (Sc1.12 Y.88) (Si1.96 Al.04) O7
compound: <missing>
pub_title: A re-examination of thortveitite Sample 1 from Iveland
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compound: <missing>
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compound: <missing>
pub_title: A re-examination of thortveitite Sample 4 from Malagasy Republic
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compound: <missing>
pub_title: Crystal structure of andremeyerite, BaFe(Fe,Mn,Mg)Si2O7
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formula: Mn11.16 C4 O26 Cl1.69 H14
compound: <missing>
pub_title: Holdawayite, Mn6(CO3)2(OH)7(Cl,OH), a structure containing anions in zeolite-like channels
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formula: Pb3.5 Cl O4
compound: <missing>
pub_title: Asisite, a silicon-bearing lead oxychloride from the Kombat mine, South West Africa (Namibia)
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formula: Fe Ge (O6 H6)
compound: <missing>
pub_title: Crystal-structure refinement of stottite, FeGe(OH)6
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formula: Mn6.775 Mg.225 Si7 O21
compound: <missing>
pub_title: High-temperature crystal structure of pyroxmangite Sample: T = 24 C
formula_title: <missing>
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beta: 102.88
gamma: 82.95
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formula: Mn6.775 Mg.225 Si7 O21
compound: <missing>
pub_title: High-temperature crystal structure of pyroxmangite Sample: T = 200 C
formula_title: <missing>
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formula: Mn6.775 Mg.225 Si7 O21
compound: <missing>
pub_title: High-temperature crystal structure of pyroxmangite Sample: T = 400 C
formula_title: <missing>
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b: 10.585
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formula: Mn6.775 Mg.225 Si7 O21
compound: <missing>
formula_title: <missing>
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pub_title:
 High-temperature crystal structure of pyrxomangite
 Sample: T = 600 C
 Note: Si1x changed to a more reasonable value.

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formula: Si6.111 Be2.859 Li.027 Al1.311 Fe.366 Mg.328 O18 Na.406 Cs.012
compound: Mount Cervandone, Val d'Ossola, Piedmont, Italy
pub_title: Reappraisal of the crystal chemistry of beryl Sample: 3
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 Reappraisal of the crystal chemistry of beryl
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 Reappraisal of the crystal chemistry of beryl
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 Reappraisal of the crystal chemistry of beryl
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compound: Salinas mine, Minas Gerais, Brazil
pub_title: Reappraisal of the crystal chemistry of beryl Sample: 20
formula_title: <missing>
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pub_title: Reappraisal of the crystal chemistry of beryl Sample: S1
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compound: synthetic, flux-fusion
pub_title: Reappraisal of the crystal chemistry of beryl Sample: S2
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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b: 5.721
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alpha: 90
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cell_volume: 474.030
crystal_density: 3.923
pub_title:
 Dollaseite-(Ce) (Magnesium orthite redefined): Structure refinement and
 implications for F + M2+ substitutions in epidote-group minerals
 Note: Mg3-x coordinate has been corrected

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compound: <missing>
pub_title: Rietveld refinement of the todorokite structure Sample: South Africa Ka
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pub_title: Rietveld refinement of the todorokite structure Sample: South Africa Kb
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formula: Mn O2
compound: <missing>
pub_title: Rietveld refinement of the todorokite structure Sample: Cuba
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formula: Bi2 Fe P O8 H2
compound: <missing>
pub_title: Crystal structure of paulkellerite
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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c: 14.51
alpha: 90
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cell_volume: 741.421
crystal_density: 3.650
atoms_u_iso: 0
pub_title:
 Crystal structure of franklinfurnaceite: A tri-dioctahedral zincosilicate
 intermediate between chlorite and mica

atoms_sites:
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pub_title:
 Defernite from the Kombat mine, Namibia: A second occurence, structure
 refinement, and crystal chemistry

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formula: Ca.5 Si Al O4
compound: Val Pasmeda, Austria
pub_title: High-pressure structure of anorthite Sample: P = 1 bar
formula_title: <missing>
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b: 12.873
c: 14.170
alpha: 93.11
beta: 115.89
gamma: 91.28
cell_volume: 1337.803
crystal_density: 2.763
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
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formula: Ca.5 Si Al O4
compound: Val Pasmeda, Austria
pub_title: High-pressure structure of anorthite Sample: P = 25 kbar
formula_title: <missing>
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b: 12.767
c: 14.032
alpha: 92.79
beta: 115.77
gamma: 91.68
cell_volume: 1300.269
crystal_density: 2.842
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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atoms_sites:
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formula: Ca Si2 Al2 O8
compound: Val Pasmeda, Austria
pub_title: High-pressure structure of anorthite Sample: P = 31 kbar
formula_title: <missing>
a: 8.042
b: 12.748
c: 13.964
alpha: 92.20
beta: 115.27
gamma: 92.65
cell_volume: 1290.523
crystal_density: 2.864
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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atoms_aniso_u33: 0
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atoms_sites:
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formula: Ca2 Si B5 O14 H5
compound: <missing>
pub_title: Howlite, Ca2SiB5O9(OH)5: Structure refinement and hydrogen bonding
formula_title: <missing>
a: 12.820
b: 9.351
c: 8.608
alpha: 90
beta: 104.84
gamma: 90
cell_volume: 997.505
crystal_density: 2.606
atoms_occupancy: 0
atoms_sites:
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formula: Mn5 O11.18 Ba.66 H1.18
compound: <missing>
pub_title: Refinement of the substructure and superstructure of romanechite
formula_title: <missing>
a: 13.929
b: 2.8459
c: 9.678
alpha: 90
beta: 92.39
gamma: 90
cell_volume: 383.307
crystal_density: 4.725
atoms_sites: ["Mn1", "Mn2", "Mn3", "O1", "O2", "O3", "O4", "O5", "Ba", "O-H"]
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atoms_u_iso: 0
atoms_aniso_label: ["Mn1", "Mn2", "Mn3", "O1", "O2", "O3", "O4", "O5", "Ba"]
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formula: Mn4.57 Zn.32 Ca.08 As4 O20 H10
compound: Mapimi, Durango, Mexico
formula_title: <missing>
a: 18.015
b: 9.261
c: 9.770
alpha: 90
beta: 96.238
gamma: 90
cell_volume: 1620.346
crystal_density: 3.710
atoms_x: gIQeAOA5EwDgORMAEOETABDhEwCAcBkAsFkoAFDcGQBQrxQAYFQZAICTKABQJSsAAPgqADDVIgCQ4x0AAL8OADCdIwA=
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atoms_occupancy: QDQ7AABFMwAAxAkAAJg6AABxAgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
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pub_title:
 End-member villyaellenite from Mapimi, Durango, Mexico: Descriptive mineralogy,
 crystal structure, and implications for the ordering of Mn and Ca in type
 villyaellenite
 Note: refinition of villyaellenite and introduction of miguelromeroite
 results in a name change for this structure refinement

atoms_sites:
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atoms_aniso_label:
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