# cif

formula: K2 Co S2 O14 H12
compound: Synthetic
pub_title: Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
formula_title: K2Co(SO4)2(H2O)6
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formula: K2 Ni S2 O14 H12
compound: Synthetic
pub_title: Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
formula_title: K2Ni(SO4)2(H2O)6
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formula: K2 Cu S2 O14 H12
compound: Synthetic
pub_title: Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
formula_title: <missing>
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formula: K2 Zn S2 O14 H12
compound: Synthetic
pub_title: Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
formula_title: K2Zn(SO4)2(H2O)6
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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
a: 6.7895
b: 6.7895
c: 5.9560
alpha: 90
beta: 90
gamma: 90
cell_volume: 274.556
crystal_density: 6.530
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 25 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 100 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 200 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 300 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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alpha: 90
beta: 90
gamma: 90
cell_volume: 276.575
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study,
 Note: T = 400 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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beta: 90
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 500 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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alpha: 90
beta: 90
gamma: 90
cell_volume: 277.655
crystal_density: 6.458
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 600 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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b: 6.8171
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alpha: 90
beta: 90
gamma: 90
cell_volume: 278.182
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 700 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
a: 6.8214
b: 6.8214
c: 5.9893
alpha: 90
beta: 90
gamma: 90
cell_volume: 278.691
crystal_density: 6.434
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 800 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
a: 6.8249
b: 6.8249
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alpha: 90
beta: 90
gamma: 90
cell_volume: 279.159
crystal_density: 6.423
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 900 C
 Note: zircon structure

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
a: 6.8295
b: 6.8295
c: 5.9981
alpha: 90
beta: 90
gamma: 90
cell_volume: 279.764
crystal_density: 6.409
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 1000 C
 Note: zircon structure

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formula: Lu V O4
compound: Synthetic
formula_title: LuVO4
a: 7.0230
b: 7.0230
c: 6.2305
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.304
crystal_density: 6.266
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 25 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 100 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 200 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 300 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study,
 Note: T = 400 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 500 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 600 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 700 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 800 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 900 C
 Note: zircon structure

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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 1000 C
 Note: zircon structure

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compound: Kesebol, Vastra Gotaland, Sweden
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cell_volume: 481.122
crystal_density: 4.100
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K1 sample

atoms_sites:
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pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K2 sample

atoms_sites:
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compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
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gamma: 90
cell_volume: 479.480
crystal_density: 4.090
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K4 sample

atoms_sites:
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atoms_aniso_u13:
oBMBAKATAQDwUAAA8FAAABhlAAAYZQAAuGoAALhqAACYDQAAmA0AAIhUAAB4cwAAaG8AAOjGAABAoQAAqCAAANBwAAAYZQAAKNIAAPj4//9YOAEA8KUAAJCmAAA=

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAAHj7//94+///APb//wD2//8AAAAAAAAAAAAAAAAAAAAAAAAAADgiAAAw8///qOT//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

qdat:
AAAAAAAAAAAIBAAAAAAAIIUAACAQAgQEgBAIJAsADCDAGQAImCIJQkHSopQxNAp0QICmwCtgqPU8ZgH1Y7cacUhgdt2HsTNR57zOW/V3ddhfo/v51b9/62mS/767/L/ztf3XP+fb6/48H/867/76f3v/258v5/9XP/fu/9==


formula: Mn2.3 Ca.7 Ce.78 Fe.14 Al1.08 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.953
b: 5.763
c: 10.186
alpha: 90
beta: 114.42
gamma: 90
cell_volume: 478.542
crystal_density: 4.115
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K5 sample

atoms_sites:
["MnA1", "CaA1", "CeA2", "CaA2", "FeM2", "AlM2", "MnM1", "AlM1", "MnM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_x:
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atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AwMYtAEBCDwDAxi0AYGM8AJBhOwBg6gAAQEIPAMDGLQDAxi0AwMYtAEBCDwBAQg8AQEIPAA==

atoms_z:
CE4JAAhOCQC4ChoAuAoaAICEHgCAhB4AAAAAAAAAAAA4AQ0AYEgCABAMEQBg3BMAkKoBALAvFgBAVhQAEEIIAFCNCQAQchkA0N4KAACbFACwRAYAMG8aAA==

atoms_occupancy:
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atoms_u_iso:
ACwBAAAsAQDIGAEAyBgBACDLAAAgywAA4N0AAODdAACwFwEAAMgAANDPAADQtgAAYDUBANAaAQCAOAEAcBEBAKAJAQDA8wAAEDoBAMDtAQCQeAEA4PYAAA==

atoms_aniso_label:
["MnA1", "CaA1", "CeA2", "CaA2", "FeM2", "AlM2", "MnM1", "AlM1", "MnM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_aniso_u11:
gLUBAIC1AQBQ3AAAUNwAAFCqAABQqgAA8LkAAPC5AADQ6AAAwMEAAHDGAACgpQAAgB8BAIAGAQBgHAEAoAkBAKAJAQBg6gAA4CgBACBIAQBgZwEAIMsAAA==

atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
sOUAALDlAACIOwAAiDsAAFBGAABQRgAA4EcAAOBHAABQ+///ADIAAEBRAACwTwAAcJQAAHBiAAAQDgAAgD4AAIA+AADgqwAAoA8AAKAJAQCgjAAAAH0AAA==

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAAKD2//+g9v//EPX//xD1//8AAAAAAAAAAAAAAAAAAAAAIBwAADD4///g4///AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

qdat:
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formula: Mn2.308 Ca.701 Ce.787 Fe.123 Al1.081 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.950
b: 5.770
c: 10.194
alpha: 90
beta: 114.42
gamma: 90
cell_volume: 479.338
crystal_density: 4.112
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K5-600 sample, annealing under inert temperature

atoms_x:
CGUuAAhlLgCYPiQAmD4kAAAAAAAAAAAAAAAAAAAAAACo5RIAqOUSANABFQDIMCoAGKULAJipDgAIOhMACOowADh+AwAYDQMAAJwEAEhNHwComiEAiDQlACiMBQA=

atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AQEIPAMDGLQBAQg8AwMYtAPhhPACQYTsAGOwAAEBCDwDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwA=

atoms_z:
ME4JADBOCQCACxoAgAsaAICEHgCAhB4AAAAAAAAAAAD4/wwA+P8MAEhHAgBICxEAgN8TAKirAQCANxYAqFcUABg6CAAIigkAaGoZADjlCgAohxQAODoGAHhyGgA=

atoms_occupancy:
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atoms_u_iso:
cBEBAHARAQAoCQEAKAkBAAi2AAAItgAAaMkAAGjJAADoAgEA6AIBAEiyAACIwgAAWJ0AAMgYAQD4BgEAoCIBANAGAQD47QAAmN8AABAcAQCQ5gEAMFYBAOjVAAA=

atoms_aniso_u11:
kJEBAJCRAQCQxAAAkMQAAPCbAADwmwAAKKAAACigAACwzAAAsMwAABCpAABIsgAAUH0AAGD5AAA4+QAAIO4AALDbAAAI2QAAcOQAAPj3AACQNwEAuFABACi5AAA=

atoms_aniso_u22:
eM0AAHjNAADAXAEAwFwBAIiaAACImgAAILcAACC3AAAo5gAAKOYAABiXAACwuAAAeK8AACi+AAD4AQEAgMoAAKDwAACw+QAAaN0AAHA5AQBATgMAmKwBAFDXAAA=

atoms_aniso_u33:
oA4BAKAOAQCoygAAqMoAACjNAAAozQAAoOsAAKDrAADI3AAAyNwAAFC0AAAYyQAAsKQAAJCMAQCQBQEAMCQBAEAUAQCozwAAwP0AABjTAACQeAEAQAUBAAjeAAA=

atoms_aniso_u12:
AAAAAAAAAAAAAAAAAAAAADgJAAA4CQAAoPH//6Dx//8AAAAAAAAAAAAAAAAAAAAAAAAAAAggAABAyv//2BgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

atoms_aniso_u13:
aMQAAGjEAADYIgAA2CIAAOgrAADoKwAAGDgAABg4AABA3v//QN7//6glAAAQOwAASDUAAOB+AABQVQAAUOL//3gyAAAgMAAA0IQAANgOAADg2AAAcHsAAChBAAA=

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAACj7//8o+///gPj//4D4//8AAAAAAAAAAAAAAAAAAAAAAAAAAKAPAAAQ6///QOP//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

qdat:
AAAAAAAAAAAIBAAAAAAAIIUAACAQAgQEgBAIJAsADCCAGAAQmCIJQkHSopQxVAp0YIDnQC3guP1Y5gP5o7cacQhgZ82HslNT571MW9V2eZhfovOxV9vX6nGi/b7e/L/3+vn/euXf67Y8Hv96//zsfW73/r83x/3eb//Lt9==


formula: Mn2.3 Ca.7 Ce.78 Fe.14 Al1.08 Si3 O13 H
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.925
b: 5.744
c: 10.158
alpha: 90
beta: 114.46
gamma: 90
cell_volume: 474.015
crystal_density: 4.161
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K5-700 sample, annealing ex situ under inert atmosphere

atoms_sites:
["MnA1", "CaA1", "CeA2", "CaA2", "FeM2", "AlM2", "MnM1", "AlM1", "MnM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

atoms_x:
GG4uABhuLgBAUCQAQFAkAAAAAAAAAAAAAAAAAAAAAABQsRIAAAkVAKAcKgDQpgsAELQOAMA2EwBA2jAAIG4DAJAIAwDQngQA8GMfAOB7IQAgOCUAkJIFAEAZAQA=

atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AwMYtAEBCDwDAxi0AoGk8ANBnOwDQ6AAAQEIPAMDGLQDAxi0AwMYtAEBCDwBAQg8AQEIPAEBCDwA=

atoms_z:
4EMJAOBDCQAoCRoAKAkaAICEHgCAhB4AAAAAAAAAAAAoDA0AoF0CAMABEQDA1hMAQMgBACAuFgBgWRQAMCwIABCHCQBgbRkAoOYKAHCAFACAMwYAEGwaACDiEQA=

atoms_occupancy:
AL0fAABMHQCAmy8AgG0NAICLCACAfTQAgJsvAIBtDQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
QLUAAEC1AADgtQAA4LUAALCBAACwgQAAgIkAAICJAADglwAAcHsAAOB5AACwaAAAkMkAAOCrAAAAyAAAwKgAAGCfAACgpQAAYNEAAMBXAQDgDwEA8KAAAIA4AQA=

atoms_aniso_label:
["MnA1", "CaA1", "CeA2", "CaA2", "FeM2", "AlM2", "MnM1", "AlM1", "MnM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_aniso_u11:
kBQBAJAUAQC4jQAAuI0AANBrAADQawAAEHIAABByAAAQcgAAMHUAAJBlAABgVAAAkLAAACCZAADwoAAAsJoAAKCMAABQqgAA4KsAAGDRAADgDwEAgIkAAA==

atoms_aniso_u22:
4JIAAOCSAABY7QAAWO0AAGBtAABgbQAAQIMAAECDAABwlAAA0GsAACCAAACgcwAAEIsAACCyAADAdgAA8KAAABCkAACAogAAAPoAAMBRAgDgpQEAYJ8AAA==

atoms_aniso_u33:
MKcAADCnAAAgigAAIIoAAOCSAADgkgAA4JIAAOCSAABAgwAAcHsAANCEAABgbQAAoCIBACCyAABg6gAAMKcAADCOAABg0QAA8IcAAIA4AQBQkQAA4MQAAA==

atoms_aniso_u12:
AAAAAAAAAAAAAAAAAAAAAJABAACQAQAAoPb//6D2//8AAAAAAAAAAAAAAAAAAAAAYCIAAGDX//+wBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

atoms_aniso_u13:
gIkAAICJAACwHQAAsB0AALAdAACwHQAA8CMAAPAjAAAQ9f//sB0AAMArAACAJQAAAGQAAPA8AADg/P//MCoAACAcAADgeQAAwPn//9C2AAAAZAAAsE8AAA==

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAAMD5///A+f//oPb//6D2//8AAAAAAAAAAAAAAAAAAAAAEA4AAGDw//+w6///AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

qdat:
AAAAAAAAAAAIBAAAAAAAIEKAABAIAgIEQAgIEgWABhCgHIAETBEEoSDpSSYUmQU/MCBp4Av4Nl5WOYD+memGvNIYGfbh/kzUee6zjn1c1lYL5N7uNev/vU003+v3/7dufT8737za/3fHh/v3O/+fj+9///PjfH3d5vf6u/==


formula: Mn2.323 Ca1.151 Ce.241 Fe.172 Al1.113 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.922
b: 5.717
c: 10.272
alpha: 90
beta: 115.24
gamma: 90
cell_volume: 473.923
crystal_density: 3.780
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K3-550 sample

atoms_x:
OHEuADhxLgD49iQA+PYkAAAAAAAAAAAAAAAAAAAAAACYcxIAmHMSAIAGFQDAECoAMJwLAOC2DgCoNRMAQMYwAJiWAwBQ2gIAkNkEABiRHwBAAyEA2FwlAKCgBQA=

atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AQEIPAMDGLQBAQg8AwMYtAJiKPABomDsAUOEAAEBCDwDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwA=

atoms_z:
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atoms_occupancy:
gBklAIDvFwCAUS4AgLcOAPB4CgAQkDIA4E0OACC7LgDQ+jkAMA4DAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
GBkBABgZAQDwMQEA8DEBAGDbAABg2wAAWNkAAFjZAAAw8gAAMPIAADDKAABw3wAAyLkAAEhSAQDYFwEAgEcBADj+AACwDQEA+BABAMBIAQC4+gEAyMwBACgEAQA=

atoms_aniso_u11:
4IIBAOCCAQC4GQEAuBkBANC7AADQuwAAuLAAALiwAAAYvwAAGL8AAMivAACgyAAAAKAAAFAYAQA4+QAAGBQBANDtAADY2wAACCQBAIAVAQC4fQEAkPUBABjsAAA=

atoms_aniso_u22:
6O4AAOjuAADoZgEA6GYBAFjUAABY1AAAaMQAAGjEAADw4QAA8OEAAJjBAACo2QAA+M8AAOgHAQBgJgEAkOIAAIj+AAAAJwEAoPUAAFBFAQD4zQIAiIQCAODxAAA=

atoms_aniso_u33:
iCsBAIgrAQCw7wAAsO8AAAjyAAAI8gAAYPkAAGD5AADg9gAA4PYAAAjZAADoAgEAEMcAALjrAQCQMgEAsGcBABgZAQCQ9gAAeG0BAPAOAQDIKwIAWBABAMhjAQA=

atoms_aniso_u12:
AAAAAAAAAAAAAAAAAAAAANAWAADQFgAA6PT//+j0//8AAAAAAAAAAAAAAAAAAAAAAAAAAPAoAAAIvP//6BIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

atoms_aniso_u13:
AOEAAADhAABQSwAAUEsAAJBMAACQTAAAWD4AAFg+AABIIQAASCEAADhAAACwaAAAGFYAACi5AACYgAAAUBQAABh5AADANQAAGN0AAOgIAADYSQEAsMcAADCxAAA=

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAALD///+w////IPT//yD0//8AAAAAAAAAAAAAAAAAAAAAAAAAAMhBAABA1P//UNj//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

qdat:
AAAAAAAAAAAIAgAAAAAAEEEAAAgEAgEBIBAECQNgAgggBwACHBCAiFAicCyYFEFlVCAeOAk0B6eKbTDKyi2qw8hwApRuv9JaW7fHofs9SOXH5T+/fr1/b9fDT379e7m+vvV3//7L6/PtTJ/+r2e99m/f7/V318r3Jr/+87==


formula: Mn2.242 Ca1.221 Ce.233 Fe.186 Al1.118 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.908
b: 5.711
c: 10.314
alpha: 90
beta: 115.38
gamma: 90
cell_volume: 474.068
crystal_density: 3.766
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K3-600 sample

atoms_x:
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atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AQEIPAMDGLQBAQg8AwMYtAHCUPACIoDsAwOkAAEBCDwDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwA=

atoms_z:
2C0JANgtCQDw5hkA8OYZAICEHgCAhB4AAAAAAAAAAAAodQ0AKHUNAGCYAgBwmBAAiMgTADAtAgBIARYA6CsUAJD0BwDocgkAwHYZALD5CgBYhRMAeOYFAKD0GgA=

atoms_occupancy:
AFwhAACtGwBA0i4AwDYOAKBZCwBgrzEAcNYOAJAyLgAQTTkA8LsDAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
IAcBACAHAQCQGQEAkBkBABjOAAAYzgAAiL0AAIi9AAAIzwAACM8AAHi0AADwzQAA+KcAAPA7AQDwCQEAKDsBAEjpAADQBgEAIAIBAEg0AQCYtgEASLYBAHACAQA=

atoms_aniso_u11:
YF0BAGBdAQDw+gAA8PoAACilAAAopQAAOJoAADiaAAC4nAAAuJwAADiVAADwoAAAmIAAAAgLAQDA1QAAOAMBAAjFAADgzgAA6N8AAEjuAADIQAEAiP0BAJDYAAA=

atoms_aniso_u22:
aNgAAGjYAAD4QgEA+EIBALDHAACwxwAAGJcAABiXAADQogAA0KIAAEiKAADIvgAAwJ4AACjIAAD4PQEAiKkAABCpAAAIBgEAqM8AANALAQD4WgIAsCACAHDpAAA=

atoms_aniso_u33:
aBkBAGgZAQC42AAAuNgAAIjlAACI5QAAyNcAAMjXAACA3gAAgN4AAIjWAAC4+wAAKMgAAEjUAQBAHgEA+JIBAOgWAQAYAAEA+HkBADAGAQBwEAIAQCgBAFBoAQA=

atoms_aniso_u12:
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atoms_aniso_u13:
AL4AAAC+AAAQMQAAEDEAALg9AAC4PQAAOCIAADgiAADIBQAAyAUAACgoAAAASwAA2DYAAMiRAACQfgAA6CEAANgxAACYJgAAgKIAACDW///gNwEAuM4AAAidAAA=

atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAAJjv//+Y7///OPr//zj6//8AAAAAAAAAAAAAAAAAAAAAAAAAAPglAABo/P//8Oz//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

qdat:
AAAAAAAAAAAQAgAAAAAAEEEAAAgEAgEBECAECIJgAggwAgACGhCBiFAxUCiUDEFHUkAUGBC6B63KTJiFzh0kw2pwA14/faqt279Tkb79ZPP+6577tVy/+/dhnyv3+7y7t/+7XvV7///mx5/3rv/9X/v17/l3d+V/v29/8/==


formula: Mn2.059 Ca1.43 Ce.188 Fe.265 Al1.059 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.891
b: 5.696
c: 10.350
alpha: 90
beta: 115.35
gamma: 90
cell_volume: 473.685
crystal_density: 3.732
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K3-700 sample

atoms_x:
qIguAKiILgB4TiUAeE4lAAAAAAAAAAAAAAAAAAAAAACoShIAqEoSAKAEFQDY/SkAkKALAFC6DgDgSBMAuK0wAKifAwCA0gIAMAwFAACkHwAIzSAAmH4lAGCuBQA=

atoms_y:
wMYtAMDGLQDAxi0AwMYtAAAAAAAAAAAAAAAAAAAAAABAQg8AQEIPAMDGLQBAQg8AwMYtAKiOPABgrzsAENsAAEBCDwDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwA=

atoms_z:
yB8JAMgfCQDo3xkA6N8ZAICEHgCAhB4AAAAAAAAAAABIhw0ASIcNAJCpAgCIcRAAqLITADBBAgAA7xUA8A8UAJDlBwBwYwkAWHUZAIj0CgCISxMAiNEFAEAJGwA=

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:
AAAAAAAAAAAAAAAAAAAAAFD2//9Q9v//oPv//6D7//8AAAAAAAAAAAAAAAAAAAAAAAAAAGAnAADA7///KOL//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=

qdat:
AAAAAAAAAAAQAgAAAAAAEEMAAAgEAgIBECAEBIMwBgQwBwACKhECSDBpqBxkCkGt84A2GCCyC+LLtE8HtBqvxabQBP06t0avHPfTXU/ec3nujd/72dp/6/y1bNvzfpfz+fO7bvt+/vL9Y8v876//97/X/fcnz3zdb2Zb3z==


formula: Mn1.822 Ca.888 Ce.834 Fe.391 Al1.064 Si3 O13
compound: Kesebol, Vastra Gotaland, Sweden
formula_title: <missing>
a: 8.894
b: 5.699
c: 10.368
alpha: 90
beta: 115.69
gamma: 90
cell_volume: 473.575
crystal_density: 4.175
pub_title:
 Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden
 Note: K3-800 sample

atoms_x:
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atoms_y:
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atoms_z:
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pub_title:
 New insights into the crystal structure and crystal chemistry of the zeolite
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 0.0001 GPa

atoms_sites:
["SbB1", "SbB2", "MgB2", "SbB3", "MgB3", "CaA1", "MnA1", "MnA2", "SbA2", "CaA3", "MnA3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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formula_title: <missing>
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 2.25 GPa

atoms_sites:
["SbB1", "SbB2", "MgB2", "SbB3", "MgB3", "CaA1", "MnA1", "MnA2", "SbA2", "CaA3", "MnA3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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formula: Sb3.96 Mg.12 Ca2.8 Mn1.12 O14
compound: Langban mine, Varmland, Sweden
formula_title: <missing>
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 4.23 GPa

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formula: Sb3.96 Mg.12 Ca2.8 Mn1.12 O14
compound: Langban mine, Varmland, Sweden
formula_title: <missing>
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 5.41 GPa

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formula: Sb3.96 Mg.12 Ca2.8 Mn1.12 O14
compound: Langban mine, Varmland, Sweden
formula_title: <missing>
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 6.38 GPa

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formula: Sb3.96 Mg.12 Ca2.8 Mn1.12 O14
compound: Langban mine, Varmland, Sweden
formula_title: <missing>
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pub_title:
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 7.42 GPa

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formula: Ca C O3
compound: theoretical
formula_title: <missing>
a: 7.290
b: 7.290
c: 25.302
alpha: 90
beta: 90
gamma: 120
cell_volume: 1164.503
crystal_density: 2.569
atoms_sites: ["Ca1", "Ca2", "Ca3", "C1", "C2", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 Structure and carbonate orientation of vaterite (CaCO3)
 Note: Coordinates corrected by Wang, Sept, 2009

qdat:
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formula: W C
compound: Luobusa ophiolite, Qusong County, Tibet, China
pub_title: Qusong (WC): A new mineral
formula_title: <missing>
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formula: As S
compound: Synthetic
formula_title: <missing>
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gamma: 90
cell_volume: 802.044
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se0-2

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formula: As S
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se0-3

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formula: As S
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se0-4

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se0-5

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-1

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-3

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-4

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-5

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-6

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-7

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-8

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-9

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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se1-10

qdat:
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compound: Synthetic
formula_title: <missing>
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alpha: 90
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gamma: 90
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se1-14

qdat:
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compound: Synthetic
formula_title: <missing>
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se1-15

qdat:
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formula: As (S.87 Se.13)
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 106.378
gamma: 90
cell_volume: 806.186
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se1-16

qdat:
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formula: As S.9 Se.1
compound: Synthetic
formula_title: <missing>
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c: 6.6197
alpha: 90
beta: 106.442
gamma: 90
cell_volume: 810.097
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atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se1-17

qdat:
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formula: As (S.908 Se.093)
compound: Synthetic
formula_title: <missing>
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cell_volume: 805.044
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se1-18

qdat:
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compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 106.483
gamma: 90
cell_volume: 814.713
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se2-1

qdat:
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compound: Synthetic
formula_title: As4Se4
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b: 13.6920
c: 6.6855
alpha: 90
beta: 106.527
gamma: 90
cell_volume: 833.138
crystal_density: 4.380
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-2

qdat:
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formula: As (S.275 Se.725)
compound: Synthetic
formula_title: As4Se4
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b: 13.7233
c: 6.6948
alpha: 90
beta: 106.650
gamma: 90
cell_volume: 837.149
crystal_density: 4.474
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-3

qdat:
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compound: Synthetic
formula_title: <missing>
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c: 6.6354
alpha: 90
beta: 106.446
gamma: 90
cell_volume: 814.931
crystal_density: 3.794
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-4

qdat:
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formula: As (S.36 Se.64)
compound: Synthetic
formula_title: As4Se4
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cell_volume: 837.743
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-6

qdat:
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formula: As (S.395 Se.605)
compound: Synthetic
formula_title: As4Se4
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cell_volume: 834.542
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-7

qdat:
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formula: As (S.382 Se.618)
compound: Synthetic
formula_title: As4Se4
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alpha: 90
beta: 106.475
gamma: 90
cell_volume: 832.469
crystal_density: 4.339
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-8

qdat:
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formula: As (S.44 Se.56)
compound: Synthetic
formula_title: As4Se4
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alpha: 90
beta: 106.524
gamma: 90
cell_volume: 832.637
crystal_density: 4.251
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se2-9

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compound: Synthetic
formula_title: <missing>
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se2-11

qdat:
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se3-2

qdat:
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formula_title: As4Se4
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gamma: 90
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se3-3

qdat:
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formula: As (S.255 Se.745)
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formula_title: As4Se4
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se3-5

qdat:
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formula: As (S.28 Se.72)
compound: Synthetic
formula_title: As4Se4
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alpha: 90
beta: 106.558
gamma: 90
cell_volume: 841.875
crystal_density: 4.442
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se3-7

qdat:
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formula: As (S.213 Se.788)
compound: Synthetic
formula_title: As4Se4
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b: 13.7388
c: 6.6996
alpha: 90
beta: 106.492
gamma: 90
cell_volume: 839.419
crystal_density: 4.555
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se3-8

qdat:
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formula: As (S.255 Se.745)
compound: Synthetic
formula_title: As4Se4
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b: 13.7372
c: 6.7034
alpha: 90
beta: 106.593
gamma: 90
cell_volume: 840.664
crystal_density: 4.485
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se3-9

qdat:
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formula: As (S.12 Se.88)
compound: Synthetic
formula_title: As4Se4
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b: 13.7625
c: 6.7175
alpha: 90
beta: 106.565
gamma: 90
cell_volume: 846.047
crystal_density: 4.656
atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se7-3

qdat:
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formula: As (S.077 Se.923)
compound: Synthetic
formula_title: As4Se4
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alpha: 90
beta: 106.672
gamma: 90
cell_volume: 844.054
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atoms_sites: ["As1", "As2", "As3", "As4", "SX1", "SeX1", "SX2", "SeX2", "SX3", "SeX3", "SX4", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se7-5

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compound: Synthetic
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S1Se7-7

qdat:
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formula: As Se
compound: Synthetic
formula_title: As4Se4
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b: 13.8187
c: 6.7368
alpha: 90
beta: 106.5767
gamma: 90
cell_volume: 853.711
crystal_density: 4.789
atoms_sites: ["As1", "As2", "As3", "As4", "SeX1", "SeX2", "SeX3", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S0Se1-2

qdat:
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formula: As Se
compound: Synthetic
formula_title: As4Se4
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c: 6.7321
alpha: 90
beta: 106.617
gamma: 90
cell_volume: 852.812
crystal_density: 4.794
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S0Se1-3

qdat:
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formula: As Se
compound: Synthetic
formula_title: As4Se4
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c: 6.7340
alpha: 90
beta: 106.692
gamma: 90
cell_volume: 852.018
crystal_density: 4.799
atoms_sites: ["As1", "As2", "As3", "As4", "SeX1", "SeX2", "SeX3", "SeX4"]
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
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 Note: S0Se1-5

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cell_volume: 3730.978
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pub_title:
 Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and
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formula: Na V Si2 O6
compound: <missing>
formula_title: NaVSi2O6
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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 0.0001 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 1.52 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 3.47 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 7.18 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 9.39 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P     = 10.93 GPa

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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 7.62 GPa

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formula_title: NaVSi2O6
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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 4.61 GPa

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formula: Na V Si2 O6
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formula_title: NaVSi2O6
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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 6.10 GPa

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formula: Hg Ag16 As3.596 Sb.403 S15
compound: Chanarcillo, Chile
formula_title: <missing>
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b: 15.0651
c: 15.5361
alpha: 90
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cell_volume: 6094.243
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pub_title:
 Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile:
 Crystal structure, pseudosymmetry, twinning, and revised chemical formula

atoms_sites:
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 0.00 GPa
formula_title: LiFeGe2O6
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b: 8.836
c: 5.379
alpha: 90
beta: 108.83
gamma: 90
cell_volume: 445.038
crystal_density: 4.537
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa
formula_title: LiFeGe2O6
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 2.54 GPa
formula_title: LiFeGe2O6
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alpha: 90
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.16 GPa
formula_title: LiFeGe2O6
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 GPa
formula_title: LiFeGe2O6
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c: 5.127
alpha: 90
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa
formula_title: LiFeGe2O6
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alpha: 90
beta: 101.41
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 GPa
formula_title: LiFeGe2O6
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b: 8.670
c: 5.101
alpha: 90
beta: 101.19
gamma: 90
cell_volume: 409.900
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formula: Li Fe Ge2 O6
compound: <missing>
pub_title: High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 8.72 GPa
formula_title: LiFeGe2O6
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beta: 100.91
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formula: Mg S O6 H4
compound: Synthetic
formula_title: <missing>
a: 8.8932
b: 8.4881
c: 12.4401
alpha: 90
beta: 90
gamma: 90
cell_volume: 939.058
crystal_density: 2.212
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pub_title:
 Determination of the crystal structure of sanderite, MgSO4*2H2O,
 by X-ray powder diffraction and the charge flipping method
 Note: x-coordinate of O4 changed by the author

atoms_sites:
["Mg1", "Mg2", "S1", "S2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat1", "Wat2", "Wat3", "Wat4"]

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formula: (Li1.95 Mg1.05) Si5 O12
compound: synthetic, synthesized at P = 15 GPa, T = 1500 C
formula_title: (Li2Mg)Si2(SiO4)3
a: 11.2660
b: 11.2660
c: 11.2660
alpha: 90
beta: 90
gamma: 90
cell_volume: 1429.912
crystal_density: 3.451
atoms_sites: ["LiX", "MgX", "SiY", "Si", "O"]
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pub_title:
 Crystal structure and Raman spectrum of a high-pressure
 Li-rich majoritic garnet, (Li2Mg)Si2(SiO4)3

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formula: Fe.878 Al1.964 Mg.138 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1584
b: 8.1584
c: 8.1584
alpha: 90
beta: 90
gamma: 90
cell_volume: 543.019
crystal_density: 4.144
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "O"]
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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample HO19

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formula: Fe.924 Al1.948 Mg.116 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1511
b: 8.1511
c: 8.1511
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.563
crystal_density: 4.194
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "O"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample AVMa8.9


formula: Fe.934 Al1.906 Mg.146 Ti.004 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1517
b: 8.1517
c: 8.1517
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.682
crystal_density: 4.202
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "TiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AyB0QAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample AVHz20


formula: Fe.898 Al1.93 Mg.15 Ti.006 Mn.006 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1504
b: 8.1504
c: 8.1504
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.423
crystal_density: 4.183
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "TiM", "MnM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAIAVEAA=
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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:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample HO15

qdat:
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formula: Fe.892 Al1.922 Mg.164 Ti.004 Mn.006 Zn.002 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1474
b: 8.1474
c: 8.1474
alpha: 90
beta: 90
gamma: 90
cell_volume: 540.825
crystal_density: 4.183
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "TiM", "MnM", "ZnM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCoGhAA
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCoGhAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample HO27BC


formula: Fe.84 Al1.966 Mg.19 O4
compound: the Anga metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
a: 8.1460
b: 8.1460
c: 8.1460
alpha: 90
beta: 90
gamma: 90
cell_volume: 540.547
crystal_density: 4.143
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "O"]
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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
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 Note: Sample 441A

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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
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 Note: Sample 441B

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As0

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As11

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As24

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As43

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As66

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As80

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As100

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formula: Pb Fe3 P2 O14 H6
compound: Schone Aussicht mine, near Dernbach, Germany
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pub_title:
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite

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formula: Pb Fe3 Zn.31 P1.08 S.16 As.766 O14 H6
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pub_title:
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite

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pub_title:
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 5 GPa

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pub_title:
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 15 GPa

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formula: Mg Si2 Ca2 O7
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beta: 115.1
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pub_title:
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 15.7 GPa

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formula: Mg1.997 Si.995 O4
compound: Synthetic
formula_title: <missing>
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c: 5.9822
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
 Sample: Anhydrous Fo100

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beta: 90
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atoms_aniso_label: ["Mg1", "Mg2", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
 Sample: SZ0408A

qdat:
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formula: Mg1.99 Si.993 O4
compound: Synthetic
formula_title: <missing>
a: 4.7547
b: 10.20416
c: 5.98494
alpha: 90
beta: 90
gamma: 90
cell_volume: 290.376
crystal_density: 3.208
atoms_sites: ["Mg1", "Mg2", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa
 Sample: SZ0408B

qdat:
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formula: Zn Al2 O4
compound: <missing>
pub_title: Inverse spinel structure of Co-doped gahnite Note: Sample S0, inversion parameter = 0, ZnAl2O4
formula_title: <missing>
a: 8.0854
b: 8.0854
c: 8.0854
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.572
crystal_density: 4.608
atoms_sites: ["ZnT", "AlM", "O"]
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atoms_y: IKEHAICEHgBAIxAA
atoms_z: IKEHAICEHgBAIxAA
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qdat:
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formula: Zn.96 Co.04 Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0863
b: 8.0863
c: 8.0863
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.749
crystal_density: 4.600
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
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atoms_y: IKEHACChBwAgoQcAgIQeAICEHgAAHRAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S1, inversion parameter = .037, (Zn.96Co.04)Al2O4

qdat:
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formula: Zn.92 Co.08 Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0883
b: 8.0883
c: 8.0883
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.141
crystal_density: 4.590
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgDAFhAA
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pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S2, inversion parameter = .051, (Zn.92Co.08)Al2O4

qdat:
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formula: Zn.88 Co.12 Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0897
b: 8.0897
c: 8.0897
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.416
crystal_density: 4.581
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCgExAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCgExAA
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pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S3, inversion parameter = .054, (Zn.88Co.12)Al2O4

qdat:
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formula: Zn.75 Co.25 Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0914
b: 8.0914
c: 8.0914
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.750
crystal_density: 4.557
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgDwDhAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgDwDhAA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S4, inversion parameter = .070, (Zn.75Co.25)Al2O4

qdat:
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formula: Zn.5 Co.5 Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0928
b: 8.0928
c: 8.0928
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.025
crystal_density: 4.515
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgDQCxAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgDQCxAA
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atoms_aniso_u23: 0
pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S6, inversion parameter = .095, (Zn.5Co.5)Al2O4

qdat:
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formula: Zn.25 Co.75 Al2 O4
compound: <missing>
formula_title: (Zn.25Co.75)Al2O4
a: 8.0945
b: 8.0945
c: 8.0945
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.359
crystal_density: 4.471
atoms_sites: ["ZnT", "CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCQBRAA
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCQBRAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S8, inversion parameter = .150, (Zn.25Co.75)Al2O4

qdat:
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formula: (Co Al2) O4
compound: <missing>
formula_title: CoAl2O4
a: 8.1005
b: 8.1005
c: 8.1005
alpha: 90
beta: 90
gamma: 90
cell_volume: 531.539
crystal_density: 4.421
atoms_sites: ["CoT", "AlT", "AlM", "CoM", "O"]
atoms_x: IKEHACChBwCAhB4AgIQeANDyDwA=
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S10, inversion parameter = .248, CoAl2O4

qdat:
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formula: Mn O4.054
compound: <missing>
formula_title: <missing>
a: 5.1342
b: 2.8469
c: 7.4815
alpha: 90.310
beta: 101.559
gamma: 89.944
cell_volume: 107.134
crystal_density: 3.714
atoms_sites: ["Mn", "O1", "Oint", "Oint2"]
atoms_x: AAAAALBCFwDAQhEAIIYYAA==
atoms_y: AAAAAAiJAABQ5/r/IJIWAA==
atoms_z: AAAAAOAwCABAfh4A8P8eAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.001 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

qdat:
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formula: Mn O4.172
compound: <missing>
formula_title: <missing>
a: 5.1298
b: 2.8445
c: 7.5029
alpha: 90.12
beta: 101.395
gamma: 89.958
cell_volume: 107.322
crystal_density: 3.766
atoms_sites: ["Mn", "O1", "Oint", "Oint2"]
atoms_x: AAAAANATFwDQ8g8AkAEZAA==
atoms_y: AAAAAFBGAAAgqvn/ICgXAA==
atoms_z: AAAAAEA6CACAax4AYP4eAA==
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pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.01 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

qdat:
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formula: Mn O4.212
compound: <missing>
formula_title: <missing>
a: 5.1349
b: 2.8465
c: 7.5135
alpha: 89.94
beta: 101.561
gamma: 89.997
cell_volume: 107.593
crystal_density: 3.776
atoms_sites: ["Mn", "O1", "Oint", "Oint2"]
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atoms_y: AAAAALC//v+wpuX/MHQVAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.05 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

qdat:
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formula: Na.98 Mg.52 Si2.98 O6
compound: <missing>
formula_title: (Na.98Mg.02)(Mg.51Si.49)Si2O6
a: 9.4051
b: 8.6436
c: 5.2679
alpha: 90
beta: 108.142
gamma: 90
cell_volume: 406.959
crystal_density: 3.507
atoms_x: wMYtAMDGLQDAxi0AwMYtAMDGLQDAxi0AcLoCAOBFAgAIoDQA6EI0AMiKBwA4/gUA+N0GAJCmBQA=
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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J1

atoms_sites:
["NaM2", "MgM2", "NaM21", "MgM1", "SiM11", "SiM1", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]

atoms_aniso_label:
["NaM2", "MgM2", "NaM21", "MgM1", "SiM11", "SiM1", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]

qdat:
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formula: Na.968 Mg.494 Si4.487 O12
compound: <missing>
formula_title: Na(Mg.45Al.10Si.45)Si2O6
a: 9.3957
b: 8.6262
c: 5.2588
alpha: 90
beta: 108.050
gamma: 90
cell_volume: 405.246
crystal_density: 2.887
atoms_sites: ["Na1", "Na2", "MgM1A", "SiM1B", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: wMYtAMDGLQDAxi0AwMYtALizAgDYSAIAmJw0AJBFNAAQfwcA2A0GAPjTBgCosQUA
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atoms_u_iso: uLAAALADAQCodQAAIFgAALhqAAA4cgAASI8AAGCGAACInwAASLIAAFiYAAAYlwAA
atoms_aniso_label: ["Na1", "Na2", "MgM1A", "SiM1B", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
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atoms_aniso_u33: yKAAACDVAAD4dQAAqFIAALBjAACAawAA0JMAAHiqAACwqQAAeLQAAAiEAABQhwAA
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAABD6//9ICAAAAOz//8ASAACw////QBAAADDp///wNwAA
pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J2

qdat:
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formula: Na.97 Mg.4 Al.3 Si2.33 O6
compound: <missing>
formula_title: (Na.97Mg.03)(Mg.37Al.30Si.33)Si2O6
a: 9.4410
b: 8.6038
c: 5.2547
alpha: 90
beta: 107.833
gamma: 90
cell_volume: 406.323
crystal_density: 3.295
atoms_sites: ["NaM2", "MgM2", "MgM1", "AlM1", "SiM1", "Si", "O1", "O2", "O3"]
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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J3

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compound: <missing>
formula_title: (Na.97Mg.03)(Mg.24Al.55Si.21)Si2O6
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b: 8.5946
c: 5.2437
alpha: 90
beta: 107.741
gamma: 90
cell_volume: 405.329
crystal_density: 3.306
atoms_sites: ["NaM2", "MgM2", "MgM1", "AlM1", "SiM1", "Si", "O1", "O2", "O3"]
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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J4

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compound: <missing>
formula_title: (Na.99Mg.01)(Mg.16Al.70Si.14)Si2O6
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b: 8.5804
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alpha: 90
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gamma: 90
cell_volume: 403.945
crystal_density: 3.320
atoms_sites: ["NaM2", "MgM2", "MgM1", "AlM1", "SiM1", "Si", "O1", "O2", "O3"]
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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J5

qdat:
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formula: O3 Si Mg
compound: theoretical structure
pub_title: Phase behavior of protoenstatite at high pressure studied by atomistic simulations
formula_title: <missing>
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b: 8.513
c: 5.254
alpha: 90
beta: 90
gamma: 90
cell_volume: 410.194
crystal_density: 3.251
atoms_sites: ["O1", "O2", "O3", "Si", "Mg1", "Mg2"]
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formula: O3 Si Mg
compound: theoretical structure
formula_title: MgSiO3
a: 9.177
b: 8.816
c: 4.812
alpha: 90
beta: 90
gamma: 90
cell_volume: 389.312
crystal_density: 3.426
atoms_sites: ["O1", "O2", "O3", "Si", "Mg1", "Mg2"]
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pub_title:
 Phase behavior of protoenstatite at high pressure studied by atomistic simulations
 Note: modelled high-pressure phase at P = 0 GPa

qdat:
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formula: O3 Si Mg
compound: theoretical structure
formula_title: MgSiO3
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b: 8.695
c: 5.089
alpha: 90
beta: 90
gamma: 90
cell_volume: 399.965
crystal_density: 3.334
atoms_sites: ["O1", "O2", "O3", "O4", "O5", "O6", "Si1", "Si2", "Mg1", "Mg2"]
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pub_title:
 Phase behavior of protoenstatite at high pressure studied by atomistic simulations
 Note: modelled high-pressure phase at P = 0 GPa

qdat:
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formula: Na2 Mg S2 O13 H10
compound: Synthetic
pub_title: The crystal structure and hydrogen bonding of synthetic konyaite, Na2Mg(SO4)2*5H2O
formula_title: <missing>
a: 5.7690
b: 23.951
c: 8.0460
alpha: 90
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gamma: 90
cell_volume: 1106.763
crystal_density: 2.115
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atoms_sites:
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qdat:
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formula: Pb3 (Sb.57 Te.43) Zn3 As2 O14
compound: the Black Pine mine, Montana, USA
formula_title: <missing>
a: 8.4803
b: 8.4803
c: 5.2334
alpha: 90
beta: 90
gamma: 120
cell_volume: 325.939
crystal_density: 6.704
atoms_sites: ["Pb", "Sb", "Te", "Zn", "As", "O1", "O2", "O3"]
atoms_x: 4KcYAAAAAAAAAAAAAAAAAFVYFACgP/j/wKvz/1VYFAA=
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atoms_u_iso: 0JcBAGAcAQBgHAEAgIMBAPBPAQAAcQIAYFsDAGBnAQA=
atoms_aniso_label: ["Pb", "Sb", "Te", "Zn", "As", "O1", "O2", "O3"]
atoms_aniso_u11: 0OIBACBhAQAgYQEA8E8BAMAlAQDgnwIAAGsDAAB3AQA=
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atoms_aniso_u23: gNr//wAAAAAAAAAAcP7//wAAAACAuwAAAAAAAAAAAAA=
pub_title:
 Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite,
 from the Black Pine mine, Montana

qdat:
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formula: Bi (Cl.9 Br.1) S
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
pub_title: Demicheleite-(Cl), BiS,Cl, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 7.802
b: 9.930
c: 3.9905
alpha: 90
beta: 90
gamma: 90
cell_volume: 309.159
crystal_density: 6.036
atoms_sites: ["Bi", "Cl", "Br", "S"]
atoms_x: 0HcIAICXHwCAlx8AIDUyAA==
atoms_y: UBYIALCHMQCwhzEAcAUDAA==
atoms_z: QEIPAEBCDwBAQg8AQEIPAA==
atoms_occupancy: AAk9AIDuNgCAGgYAAAk9AA==
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atoms_aniso_label: ["Bi", "Cl", "Br", "S"]
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qdat:
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formula: Mg.567 Mn.009 Fe.479 Al.19 Ti.004 Cr1.75 O4
compound: Udachnaya mine, Daldyn kimberlitic field, close to Arctic Circle, Russia
formula_title: <missing>
a: 8.33273
b: 8.33273
c: 8.33273
alpha: 90
beta: 90
gamma: 90
cell_volume: 578.578
crystal_density: 4.623
atoms_sites: ["MgT", "MnT", "Fe2+T", "Fe3+T", "AlM", "TiM", "CrM", "Fe2+M", "Fe3+M", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AUP8PAA==
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AUP8PAA==
atoms_z: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AUP8PAA==
atoms_occupancy: YJsiAKCMAACgeRgAwFcBAGDMBQBAHwAA4Gc1AOCrAACgCQEAAAk9AA==
atoms_u_iso: oFoAAKBaAACgWgAAoFoAANA5AADQOQAA0DkAANA5AADQOQAAQFEAAA==
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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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UDK1

qdat:
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formula: Mg.601 Al.223 Mn.007 Fe.444 Ti.002 Cr1.722 O4
compound: Udachnaya mine, Daldyn kimberlitic field, close to Arctic Circle, Russia
formula_title: <missing>
a: 8.3264
b: 8.3264
c: 8.3264
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.260
crystal_density: 4.590
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "Fe3+M", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeANj5DwA=
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeANj5DwA=
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atoms_u_iso: sE8AALBPAACwTwAAsE8AAHgyAAB4MgAAeDIAAHgyAAB4MgAAeDIAAABLAAA=
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UDK3

qdat:
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formula: Mg.589 Al.218 Mn.008 Fe.452 Ti.012 Cr1.72 O4
compound: Udachnaya mine, Daldyn kimberlitic field, close to Arctic Circle, Russia
formula_title: <missing>
a: 8.3266
b: 8.3266
c: 8.3266
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.302
crystal_density: 4.600
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "Fe3+M", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAHD9DwA=
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAHD9DwA=
atoms_z: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAHD9DwA=
atoms_occupancy: 4FwiAECWAQAAfQAAQIkYACDLAAAA3AUAwF0AAIB9NACAPgAAIEgBAAAJPQA=
atoms_u_iso: 0GsAANBrAADQawAA0GsAAOBHAADgRwAA4EcAAOBHAADgRwAA4EcAAHBiAAA=
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UDK4

qdat:
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formula: Mg.609 Al.246 Mn.008 Fe.431 Cr1.702 Ni.004 O4
compound: Udachnaya mine, Daldyn kimberlitic field, close to Arctic Circle, Russia
formula_title: <missing>
a: 8.3249
b: 8.3249
c: 8.3249
alpha: 90
beta: 90
gamma: 90
cell_volume: 576.948
crystal_density: 4.575
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "Fe3+T", "MgM", "AlM", "CrM", "Fe2+M", "Fe3+M", "NiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgA4/g8A
atoms_y: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgA4/g8A
atoms_z: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgA4/g8A
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atoms_u_iso: AGQAAABkAAAAZAAAAGQAAABkAAAQQAAAEEAAABBAAAAQQAAAEEAAABBAAACgWgAA
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UDK5

qdat:
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formula: Mg.547 Mn.009 Fe.509 Al.228 Ti.004 Cr1.7 Ni.002 O4
compound: Internatsionalnaya mine, Malo-Botuobiya kimberlite field, Russia
formula_title: <missing>
a: 8.3293
b: 8.3293
c: 8.3293
alpha: 90
beta: 90
gamma: 90
cell_volume: 577.864
crystal_density: 4.622
atoms_sites: ["MgT", "MnT", "Fe2+T", "Fe3+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "Fe3+M", "NiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgDI/w8A
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgDI/w8A
atoms_z: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgDI/w8A
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atoms_u_iso: kGUAAJBlAACQZQAAkGUAAJg/AACYPwAAmD8AAJg/AACYPwAAmD8AAJg/AACAVwAA
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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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample Inter-1

qdat:
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formula: Mg.574 Al.219 Mn.009 Fe.597 Ti.036 Cr1.56 Ni.002 O4
compound: Mir mine, Malo-Botuobiya kimberlite field, Russia
formula_title: <missing>
a: 8.3390
b: 8.3390
c: 8.3390
alpha: 90
beta: 90
gamma: 90
cell_volume: 579.885
crystal_density: 4.597
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "Fe3+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "Fe3+M", "NiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4ASP0PAA==
atoms_y: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4ASP0PAA==
atoms_z: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4ASP0PAA==
atoms_occupancy: QNwfAGBnAQCgjAAAwD4aAGDqAABAlgEAQPsFAEAZAQCAmy8AYG0AACA2BACgDwAAAAk9AA==
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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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample Mr-1a

qdat:
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formula: Mg.607 Al.396 Mn.008 Fe.416 Ti.002 Cr1.6 O4
compound: Internatsionalnaya mine, Malo-Botuobiya kimberlite field, Russia
formula_title: <missing>
a: 8.3055
b: 8.3055
c: 8.3055
alpha: 90
beta: 90
gamma: 90
cell_volume: 572.924
crystal_density: 4.554
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AiAMQAA==
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AiAMQAA==
atoms_z: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AiAMQAA==
atoms_occupancy: YJsiAMBXAQAAfQAAgKgYAIA4AQDgaQsAoA8AAADUMADAXQAAAAk9AA==
atoms_u_iso: QFEAAEBRAABAUQAAQFEAAHAwAABwMAAAcDAAAHAwAABwMAAAQFEAAA==
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UV-170

qdat:
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formula: Mg.649 Al1.284 Fe.416 Ti.006 Cr.632 Ni.006 O4
compound: Obnazhennaya pipe,within the Kuoika kimberlite field, Russia
formula_title: <missing>
a: 8.1821
b: 8.1821
c: 8.1821
alpha: 90
beta: 90
gamma: 90
cell_volume: 547.765
crystal_density: 4.151
atoms_sites: ["MgT", "AlT", "Fe2+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "NiM", "O"]
atoms_x: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AOA0QAA==
atoms_y: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AOA0QAA==
atoms_z: IKEHACChBwAgoQcAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AOA0QAA==
atoms_occupancy: YJsiAMBXAQCAqBgAoIACAGCDJgDgLgAAgEkTAMBdAADgLgAAAAk9AA==
atoms_u_iso: QGoAAEBqAABAagAAaEwAAGhMAABoTAAAaEwAAGhMAABoTAAAYHcAAA==
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample O-119

qdat:
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formula: Mg.744 Al1.448 Mn.003 Fe.251 Ti.004 Cr.544 Ni.006 O4
compound: Obnazhennaya pipe,within the Kuoika kimberlite field, Russia
formula_title: <missing>
a: 8.17149
b: 8.17149
c: 8.17149
alpha: 90
beta: 90
gamma: 90
cell_volume: 545.637
crystal_density: 3.997
atoms_sites: ["MgT", "AlT", "MnT", "Fe2+T", "MgM", "AlM", "TiM", "CrM", "Fe2+M", "NiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeALANEAA=
atoms_y: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeALANEAA=
atoms_z: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeALANEAA=
atoms_occupancy: AI0nAMC2BgDgLgAAYJYOAADuAgAg1SgAQB8AAACaEADAXQAA4C4AAAAJPQA=
atoms_u_iso: 4GAAAOBgAADgYAAA4GAAAAhDAAAIQwAACEMAAAhDAAAIQwAACEMAAPBuAAA=
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:
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample O-601

qdat:
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formula: Mg2 S2 O13 H10
compound: Synthetic
pub_title: Structure determination of the 2.5 hydrate MgSO4 phase by simulated annealing
formula_title: MgSO4*2.5H2O
a: 18.8636
b: 12.3391
c: 8.9957
alpha: 90
beta: 94.568
gamma: 90
cell_volume: 2087.187
crystal_density: 2.106
atoms_x: cFsWABBGGACQgxQA0P0iAGDpFQBAVhQA4DIQAHBuFwAgMiYAQJceAGB8IwAQ/iMAAOgcAHDrFwAA0g8AIJcRALB0FwA=
atoms_y: kMwlAHBRBwBw2BYAMPoHANDcGwAwQxkAMC8UAJAYEQBQKg0AIMEKAFCeAgDQ0AQAMMkkADC9JgBgSycA4N4EABAjCQA=
atoms_z: MF0dANC8GAAg6RQAcKEbABB/GwDwdwsAMIcWAAB8FQCw4B4AoDUbALBLIgCAMBMA0AMiAJDTDwAQ1hkAQOAWAOB2JgA=
atoms_occupancy: 0
atoms_u_iso: SJ4AAEieAAA4TwAAOE8AAIDtAACA7QAAgO0AAIDtAACA7QAAgO0AAIDtAACA7QAA4CgBAOAoAQDgKAEA4CgBAOAoAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
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qdat:
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formula: Cs1.34 O12.66 Na.204 Si4.434 Al1.536 H1.32
compound: Greenwood, Oxford County, Maine, USA
pub_title: Elastic behavior and phase stability of pollucite, a potential host for nuclear waste
formula_title: <missing>
a: 13.667
b: 13.667
c: 13.667
alpha: 90
beta: 90
gamma: 90
cell_volume: 2552.816
crystal_density: 2.876
atoms_sites: ["Cs", "Wat", "Na", "SiT", "AlT", "O"]
atoms_x: IKEHACChBwBAQg8AIKEHACChBwDwYwYA
atoms_y: IKEHACChBwAgoQcAaGooAGhqKACAJwgA
atoms_z: IKEHACChBwAAAAAA2OAjANjgIwDA6ysA
atoms_occupancy: wOQoAEAkFACAJgQA4BotAACgDwAACT0A
atoms_u_iso: wB8CAMAfAgDAVwEAgO0AAIDtAAAgdAIA
atoms_aniso_label: ["Cs", "Wat", "SiT", "AlT", "O"]
atoms_aniso_u11: wB8CAMAfAgAA4QAAAOEAAKD9AgA=
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atoms_aniso_u23: gD4AAIA+AACg3f//oN3//2AiAAA=
qdat:
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formula: Pb Si2 O5.5 H
compound: Blue Bell claims near Baker, San Bernardino County, California, USA
formula_title: <missing>
a: 13.2083
b: 9.7832
c: 8.6545
alpha: 90
beta: 90
gamma: 90
cell_volume: 1118.330
crystal_density: 4.186
atoms_sites: ["Pb", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "Wat"]
atoms_x: uG0gAFDHEABAlBIAYPYXAJDZDgBASRIAAL8OALCBGQAgIxwA
atoms_y: SJgLAJAjCwCwmwQAIDINAOBf/P8wlwsAoFwIAKBOAgDwFxsA
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atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4A
atoms_u_iso: oL4AAPBuAACAcAAAYNEAAGC4AADw0gAAwKgAAMDaAABgVQQA
atoms_aniso_label: ["Pb", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "Wat"]
atoms_aniso_u11: AJYAAPBuAABgbQAA4KsAAIC7AABg6gAAgLsAAOCrAACAuwAA
atoms_aniso_u22: 8NIAALBoAABgbQAAoAkBAOCrAAAgywAAwNoAAIC7AADgnwIA
atoms_aniso_u33: 8NIAADB1AAAwdQAAgLsAACDLAAAgywAAwF0AAOAoAQBgtAkA
atoms_aniso_u12: 6AMAABAOAABwFwAAYPD//2Dw///AXQAAoA8AAIA+AABgbQAA
atoms_aniso_u13: WAIAAEAGAADAEgAAAAAAAKAPAADgsf//QB8AACBOAADgnwIA
atoms_aniso_u23: EOv//9AHAADg/P//QB8AAOAuAAAg0f//gD4AAOAuAADAaf7/
pub_title:
 Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino
 County, California

qdat:
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formula: K1.381 Na1.254 Ca.54 Mg1.116 Mn.012 (Al3.378 Si14.622) O53.466 H34.932
compound: Rome, Oregon, USA
pub_title: Crystal structure and iron topochemistry of erionite-K from Rome, Oregon, U.S.A.
formula_title: <missing>
a: 13.22794
b: 13.22794
c: 15.06946
alpha: 90
beta: 90
gamma: 120
cell_volume: 2283.562
crystal_density: 2.217
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
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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: Pb10.13 N.12 H.48 Cd.5 Sn.25 As6.41 Bi4.59 S26 Cl4
compound: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
formula_title: <missing>
a: 8.3520
b: 45.592
c: 27.261
alpha: 90
beta: 98.84
gamma: 90
cell_volume: 10257.256
crystal_density: 5.960
pub_title:
 Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky
 volcano, Kamchatka Peninsula, Russian Federation

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb7", "Pb8", "Pb9", "N9", "H9", "H9", "H9", "H9", "Pb10", "N10", "H10", "H10", "H10", "H10", "Cd1a", "Pb1b", "Sn1c", "Cd2a", "Pb2b", "Sn2c", "As11", "Bi11", "As1b", "Bi1a", "As1", "Bi2a", "As2b", "As2a", "Bi2b", "As3a", "Bi3b", "Bi4a", "As4b", "As5a", "Bi5b", "Bi6a", "As6b", "As7a", "Bi7b", "Bi8a", "As8b", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "Cl9", "S10", "Cl10", "S11", "S12", "S13", "Cl13", "S14", "Cl14", "S15", "S16", "S17", "S18", "S19", "Cl19", "S20", "S21", "S22", "S23", "S24", "S25", "S26", "S27", "S28", "Cl29", "Cl30", "S31", "Cl31"]

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: O24 (Si7.68 Al.32) Mg4.5 Fe.66 Ca1.28 Na1.27 Mn.08 K.21
compound: Biancaville, Sicily, Italy
formula_title: <missing>
a: 9.8056
b: 18.0105
c: 5.2725
alpha: 90
beta: 104.406
gamma: 90
cell_volume: 901.866
crystal_density: 3.121
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:
 Structural and spectroscopic characterization of a suite of fibrous amphiboles
 with high environmental and health relevance from Biancaville (Sicily, Italy)
 Sample Name: Sample 1

atoms_sites:
["O1", "O2", "O3", "O4", "O5", "O6", "O7", "SiT1", "AlT1", "SiT2", "AlT2", "MgM1", "Fe2+M1", "MgM2", "Fe2+M2", "Fe3+M2", "MgM3", "CaM4", "NaM4", "MnM4", "FeM4", "KA", "NaA"]

atoms_x:
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atoms_y:
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pub_title:
 Structural and spectroscopic characterization of a suite of fibrous amphiboles
 with high environmental and health relevance from Biancaville (Sicily, Italy)
 Sample Name: Sample 2

atoms_sites:
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pub_title:
 Structural and spectroscopic characterization of a suite of fibrous amphiboles
 with high environmental and health relevance from Biancaville (Sicily, Italy)
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pub_title:
 Structural and spectroscopic characterization of a suite of fibrous amphiboles
 with high environmental and health relevance from Biancaville (Sicily, Italy)
 Sample Name: Sample 4

atoms_sites:
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formula: Ca2 Al2.38 Cr.62 Si3 O13
compound: Synthetic
formula_title: <missing>
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pub_title:
 A crystal-chemical investigation of clinozoisite synthesized
 along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
 Note: T = 700 C, P = 1.2 GPa

atoms_sites:
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pub_title:
 A crystal-chemical investigation of clinozoisite synthesized
 along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
 Note: T = 700 C, P = 1.2 GPa

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pub_title:
 A crystal-chemical investigation of clinozoisite synthesized
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 Note: T = 600 C, P = 1.2 GPa

atoms_sites:
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pub_title:
 A crystal-chemical investigation of clinozoisite synthesized
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 Note: T = 700 C, P = 1.2 GPa

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formula: Ca5 Si2 O8.6 F1.4 H.6
compound: Northern Caucasus, Kabardino-Balkaria, Russia
formula_title: <missing>
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pub_title:
 Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from
 Northern Caucasus, Kabardino-Balkaria, Russia

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formula: Ca5 Si2 O9.394 F.606 H1.394
compound: Northern Caucasus, Kabardino-Balkaria, Russia
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pub_title:
 Kumtyubeite Ca5(SiO4)2F2 - A new calcium mineral of the humite group from
 Northern Caucasus, Kabardino-Balkaria, Russia

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formula: Fe17.574 Ni.24 S20
compound: Copper Cliff North Mine, Sudbury, Canada
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 2356.532
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pub_title:
 The crystal structure of a naturally occurring 5C pyrrhotite
 from Sudbury, its chemistry, and vacancy distribution

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formula: Mn2 Al3 Si3 O14 H3
compound: Kamisugai, Japan
pub_title: Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 3
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formula: Mn2 Al3 Si3 O14 H3
compound: Kamogawa, Japan
pub_title: Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 4
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formula: Mn2 Al3 Si3 O14 H3
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pub_title: Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 5
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formula: Mn2 Al3 Si3 O14 H3
compound: Molinello, Italy
pub_title: Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 6
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formula: Mn2 Al3 Si3 O14 H3
compound: Gambatesa, Italy
pub_title: Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 7
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formula: Ti12 Si9 K1.56 Na4.32 O68 H40
compound: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia
formula_title: <missing>
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b: 10.921
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beta: 90
gamma: 120
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pub_title:
 Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu:
 New microporous titanosilicates from the Khibiny massif
 (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T
 Note: trigonal polytype, Ivanyukite-Na-T

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formula: Ag Fe2 S3
compound: Joachimstal, Bohemia, Czech Republic, type sample
pub_title: Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 494.262
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formula: Na.86 Ca.02 K.02 Al6.741 Fe1.23 Ti.111 Mg.978 Zn.009 Si5.94 B3 O30.9 F.1 H3.09
compound: Saxonian Erzegebirge, Germany
formula_title: <missing>
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beta: 90
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pub_title:
 Metamorphic ultrahigh-pressure tourmaline: structure,
 chemistry, and correlations to P-T conditions

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formula_title: <missing>
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pub_title:
 Metamorphic ultrahigh-pressure tourmaline: structure,
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compound: Lago di Cignana, Western Alps, Italy
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pub_title:
 Metamorphic ultrahigh-pressure tourmaline: structure,
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compound: Wiesciszowice, Rudawy Janowickie, Poland
pub_title: Slavikite - revision of chemical composition and crystal structure
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formula: Cr1.68 Mg3.16 Si3.16 O12
compound: Synthetic
pub_title: Structure refinement of a synthetic knorringite, Mg3(Cr0.8Mg0.1Si0.1)2(SiO4)3
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compound: Mponeng Mine, South Africa
formula_title: <missing>
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alpha: 90
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cell_volume: 2846.268
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pub_title:
 The crystal-structure and vacancy distribution in 6C pyrrhotite
 Note: coordinate of S7 altered to match reported bond lengths

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formula: Fe2.747 Ni.253 S3
compound: Mponeng Mine, South Africa
pub_title: The crystal-structure and vacancy distribution in 6C pyrrhotite
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formula: Cu2 As1.32 O6.5 H
compound: Daluis Gorge, Var Valley, Alpes-Maritimes, France
pub_title: Lapeyreite, Cu3O[AsO3(OH)]2x0.75H2O, a new mineral: Its description and crystal structure
formula_title: <missing>
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formula: Fe1.008 Mg.871 Ca.121 (Si1.98 Al.02) O6
compound: Parana, Brazil
pub_title: High-pressure phase transition of a natural pigeonite Note: P = 0.0001 GPa
formula_title: <missing>
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Factors responsible for crystal-chemical variations in the solid solutions
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 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Sample Name: Zempleni

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 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Sample Name: 69
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 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Sample Name: Z1

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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Sample Name: 68-69

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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
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 Sample Name: 10564

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formula: Na4.136 Bi.864 S3 O12.19 Cl.74 Br.07 H.38
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 Aiolosite, Na2(Na2Bi)(SO4)3Cl, a new sulfate isotypic to apatite
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pub_title:
 Gayite, a new dufrenite-group mineral from the Gigante granitic pegmatite,
 Cordoba province, Argentina
 Cordoba province, Argentina

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formula: Ca4 Al2 P2 O13 F8 H10
compound: Gigante granitic pegmatite, Punilla department,
formula_title: <missing>
a: 6.1933
b: 9.871
c: 13.580
alpha: 89.716
beta: 75.303
gamma: 88.683
cell_volume: 802.825
crystal_density: 2.673
atoms_occupancy: 0
pub_title:
 Galliskiite, Ca4Al2(PO4)2F8*5H2O, a new mineral from the
 Gigante granitic pegmatite, Cordoba province, Argentina
 Cordoba province, Argentina

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Al1", "Al2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "F1", "F2", "F3", "F4", "F5", "F6", "F7", "F8", "OW1", "OW2", "OW3", "OW4", "OW5", "H1A", "H1B", "H2A", "H2B", "H3A", "H3B", "H4A", "H4B", "H5A", "H5B"]

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formula: Zn6 P4 O23 H14
compound: Block 14 Opencut, Broken Hill, New South Wales, Australia
formula_title: <missing>
a: 8.299
b: 9.616
c: 12.175
alpha: 71.68
beta: 82.02
gamma: 80.18
cell_volume: 905.065
crystal_density: 3.296
atoms_occupancy: 0
pub_title:
 Description and crystal structure of liversidgeite, Zn6(PO4)4*7H2O,
 a new mineral from Broken Hill, New South Wales, Australia

atoms_sites:
["Zn1", "Zn2", "Zn3", "Zn4", "Zn5", "Zn6", "P1", "P2", "P3", "P4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "H1", "H2", "O18", "H3", "H4", "O19", "H5", "H6", "O20", "H7", "H8", "O21", "H9", "H10", "O22", "H11", "H12", "O23", "H13", "H14"]

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formula: Na79.84 Ca29.2 K14.78 Al96 Si102 O460 S31 Cl2 H20
compound: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy
formula_title: <missing>
a: 12.8742
b: 12.8742
c: 87.215
alpha: 90
beta: 90
gamma: 120
cell_volume: 12518.788
crystal_density: 2.319
pub_title:
 Fantappieite, a new mineral of the cancrinite-sodalite group
 with a 33-layer stacking sequence: Occurrence and crystal structure

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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formula: Na.592 Ca.154 (Al.706 Si1.294) O5.635 H3.27
compound: Bundoora, Melbourne, Victoria, Australia
formula_title: <missing>
a: 10.1035
b: 9.7819
c: 10.1523
alpha: 90
beta: 90
gamma: 90
cell_volume: 1003.366
crystal_density: 2.233
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pub_title:
 Reinvestigation of the crystal structure of the zeolite gobbinsite:
 a single-crystal x-ray diffraction study

atoms_sites:
["Na", "Ca", "AlT1", "SiT1", "AlT2", "SiT2", "O1", "O2", "O3", "O4", "O5", "Wat1", "Wat2", "Wat2a", "Wat3a", "Wat3b", "Wat3c"]

atoms_aniso_label:
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formula: Y.7 Dy.07 Er.05 Ca.05 Gd.02 U.02 Yb.01 Tb.01 Th.01 Nd.01 Nb.68 As.27 W.06 Ta.01 Si.01 O4
compound: Mount Cervandone, Western Alps, Italy
formula_title: <missing>
a: 5.1794
b: 11.089
c: 5.1176
alpha: 90
beta: 91.282
gamma: 90
cell_volume: 293.853
crystal_density: 5.865
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pub_title:
 Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy):
 Crystal structure and genetic implications

atoms_sites:
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formula: Na.7 Ca.773 (Al2.5 Si2.5) O12.83 H5.66
compound: Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy
pub_title: Crystal structure and low-temperature behavior of "disordered" thomsonite T = 295.5 K
formula_title: <missing>
a: 13.0809
b: 13.0597
c: 6.6051
alpha: 90
beta: 90
gamma: 90
cell_volume: 1128.367
crystal_density: 2.329
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atoms_sites:
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pub_title: Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K
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formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 2240.955
crystal_density: 2.721
pub_title:
 Combined single-crystal X-ray and neutron powder diffraction structure analysis
 exemplified through full structure determinations of
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pub_title:
 Combined single-crystal X-ray and neutron powder diffraction structure analysis
 exemplified through full structure determinations of
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formula_title: <missing>
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pub_title:
 Combined single-crystal X-ray and neutron powder diffraction structure analysis
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formula_title: <missing>
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
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formula_title: <missing>
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
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formula_title: <missing>
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pub_title:
 Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral
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formula: Pb Ca2 Zn3 Si3 O12
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pub_title:
 The crystal structure of esperite, with a revised chemical formula,
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formula: Pb3 Te Zn3 P1.594 As.404 O14
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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2

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formula: Pb3 Te Zn3 (P1.34 As.66) O14
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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2

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formula: (Ca2.736 Pb.264) Te2 Zn2.871 O12
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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
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formula: Mg.66 K.52 Ca.348 (Si8.88 Al3.12) O33.66 H19.32
compound: basalts of Praga Hill, Veszprem County, West Hungary
pub_title: Chabazite-Mg: A new natural zeolite of the chabazite series
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formula: Ca3 (Sn1.362 Ti.638) (Fe1.386 Al1.614) O12
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 Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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 Low-temperature behavior of natural kalsilite with P31c symmetry:
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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 Low-temperature behavior of natural kalsilite with P31c symmetry:
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 The effect of oxo-component on the high-pressure behavior of amphiboles
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pub_title: The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 2.85 GPa
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 The effect of oxo-component on the high-pressure behavior of amphiboles
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