# cif

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compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 113 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 135 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 154 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 175 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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alpha: 90
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 197 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 218 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 235 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 258 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 275 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 297 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
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 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 318 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 337 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 359 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 379 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 398 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 420 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 434 C
 Note: P = 101 kPa

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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 662 C
 Note: P = 101 kPa

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formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
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 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 681 C
 Note: P = 101 kPa

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compound: Cuenca, Spain
formula_title: <missing>
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 702 C
 Note: P = 101 kPa

qdat:
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formula: Cu13 As10 O63 H50
compound: Geschieber vein, Svornost mine, Jachymov ore district, Czech Republic
formula_title: <missing>
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b: 14.3700
c: 16.5590
alpha: 102.882
beta: 101.036
gamma: 98.022
cell_volume: 1435.807
crystal_density: 3.046
pub_title:
 Slavkovite, Cu13(AsO4)6(AsO3OH)4*23H2O, a new mineral species from Horni Slavkov
 and Jachymov, Czech Republic: Description and crystal-structure determination

atoms_sites:
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formula: Pb2.058 Ag2.33 Bi4.612 S10
compound: Synthetic
formula_title: Ag2.25Pb2.5Bi4.25S10
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c: 33.932
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pub_title:
 The crystal structure of a synthetic orthorhombic N = 8
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
 some synthetic substances of trirutile structure
 Note: Crystal A
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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 Note: Crystal A
 Note: Curran spectrometer

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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
 some synthetic substances of trirutile structure
 Note: Crystal A
 Note: Curran spectrometer

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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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 Note: Crystal A and B combined

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formula: (U.47 Ca.53) O2
compound: Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
formula_title: <missing>
a: 5.3813
b: 5.3813
c: 5.3813
alpha: 90
beta: 90
gamma: 90
cell_volume: 155.834
crystal_density: 7.038
atoms_sites: ["U", "Ca", "O"]
atoms_x: AAAAAAAAAABAQg8A
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pub_title:
 Vorlanite (Ca(U6+)O4 - A new mineral from the Upper Chegem caldera,
 Kabardino-Balkaria, Northern Caucasus, Russia
 Note: fluorite structure

qdat:
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compound: Cane Creek mine near Moab, Utah, USA
pub_title: The structure of braitschite, a calcium rare earth borate
formula_title: <missing>
a: 12.1506
b: 12.1506
c: 7.3678
alpha: 90
beta: 90
gamma: 120
cell_volume: 942.028
crystal_density: 3.179
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formula:
Ca6.16 Na.84 Ce1.11 Y.216 La.663 Pr.144 Nd.534 Sm.144 Eu.057 Gd.042 Tb.015 Dy.042 Ho.015 Er.015 B24 O53 H14.6

atoms_sites:
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formula: Ca4 Zr Y Na2 Si4 O15 F3
compound: Kipawa river, Canada
pub_title: The crystal structure of hiortdahlite II
formula_title: <missing>
a: 11.012
b: 10.342
c: 7.359
alpha: 89.92
beta: 109.21
gamma: 90.06
cell_volume: 791.421
crystal_density: 3.339
atoms_occupancy: 0
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formula: Ca3 (Zr.86 Ti.14) Si2 O9
compound: Fuka, Okayama Prefecture, Japan
pub_title: Single crystal refinement of the structure of baghdadite from Fuka (Okayama Prefecture, Japan)
formula_title: <missing>
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c: 7.356
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formula: Sr4.8 Ca.2 P3 O12 F
compound: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr,
formula_title: <missing>
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pub_title:
 Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral
 in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia

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formula: K.983 Na6.017 Be2 (Si15 Al3) O39 F2
compound: Langesundsfjord district, Norway
pub_title: Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway
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compound: Cornwall, UK
formula_title: <missing>
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pub_title:
 Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup
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formula: Na.57 K.222 As3 Al4 O19.104 H10.416
compound: Maria Josefa Gold mine, Rodalquilar, Andalusia region, Spain
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beta: 90
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pub_title:
 Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite
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pub_title: The decomposition of konyaite: importance in CO2 fixation in mine tailings
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formula: K2 Mg2 S3 O12
compound: the Harmstorf deposit, Werratal, Hessen, Germany
pub_title: Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3
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formula: Ca6 Al2 S3 O50 H64
compound: Synthetic
formula_title: <missing>
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pub_title:
 Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure
 for quantitative X-ray diffraction analysis

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formula: K.208 Na2.344 Ca.18 Mn2.915 Mg2.305 Si8 O24 H2
compound: Tanohata mine, Iwate Prefecture, Tohoku Region, Honshu Island, Japan
pub_title: Kozulite, a Mn-rich alkali amphibole
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formula: Fe3 C
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pub_title: Cementitens kristallstruktur _cod_database_code 1010961
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formula: O Cu2
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 77.200
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pub_title:
 An investigation on oxidation of crystal surfaces with electron
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formula: Cr N
compound: <missing>
formula_title: <missing>
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pub_title:
 Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten
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pub_title:
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pub_title:
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pub_title:
 Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
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 Die Strukturen von Mn O, Mn S, Ag F, Ni S, Sn I4, Sr Cl2, Ba F2,
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pub_title:
 A Redetermination of the Carbon - Oxygen Distance in Calcite and the
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pub_title: The Atomic Structure of Carborundum Determined by X-Rays _cod_database_code 1011031
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pub_title: The Structure of Magnetite and the Spinels _cod_database_code 1011032
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formula: Ca6 Al7 O16
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pub_title: Die Struktur des Pentacalciumtrialuminats _cod_database_code 1011034
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formula: Ni As
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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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formula: Co S
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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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 Roentgenographische Untersuchungen der Kristallstrukturen von
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formula: Mn K2 S2 O12
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pub_title: Die Struktur des Mn-Leonit _cod_database_code 1011041
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formula: Fe Sb S
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formula: Mo O3
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pub_title: The crystal structure of Molybdenum Trioxide Mo O3 _cod_database_code 1011043
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formula: Al2 Si2 O9
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pub_title: The Crystal Structure of Kaolinite _cod_database_code 1011045
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formula: Ca Mg Si2 O6
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pub_title: The Crystal Structure of monoclinic pyroxenes _cod_database_code 1011047
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formula: Ca Si2 O8 B2
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pub_title: The structure of danburite, CaB2Si2O8 _cod_database_code 1011048
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formula: Ag I
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pub_title: Ueber die Kristallstruktur von Ag I. _cod_database_code 1011050
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formula: Cd O
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formula: Ni As
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formula_title: <missing>
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beta: 90
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pub_title:
 Untersuchungen ueber die Kristallstrukturen von Wurtzit und
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formula: C Si
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pub_title: Die Gitterstruktur des Karborunds ( Si C ) I. _cod_database_code 1011053
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pub_title:
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pub_title: Die Kristallstruktur von Granat. _cod_database_code 1011055
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pub_title: An X-ray examination of substituted Edingtonites. _cod_database_code 1011059
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pub_title: Ueber die Kristallstruktur des Graphits. _cod_database_code 1011060
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formula_title: <missing>
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pub_title:
 The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the
 Polymorphism of the Kaolin Minerals.
 _cod_database_code 1011062

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pub_title: The Structure of Ice II _cod_database_code 1011063
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formula: Na Nb O3
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pub_title:
 Die Kristallstruktur von Perowskit und verwandter Verbindungen
 Note: synthetic
 Note: this is a polymorph of lueshite
 _cod_database_code 1011064

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 The Crystal Structure of ammonium, potassium and rubidium cupric
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 _cod_database_code 1011065

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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: Bi4 Si3 O12
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pub_title: Die Kristallstruktur von Eulytin _cod_database_code 1011071
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formula: Mo O3
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pub_title: Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram _cod_database_code 1011073
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formula: Al2 Si2 O9
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pub_title:
 The crystal structure of Nacrite and a comparison of certain optical
 properties of the caolin group with its structures
 _cod_database_code 1011080

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 X-ray studies on Magneto Plumbite Pb O (Fe2 O3)6 and other substances
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pub_title:
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 Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite,
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formula: Cd O
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pub_title:
 Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli
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formula: Si O2
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formula: Pd
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formula: Pd
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formula: Pt
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formula: Pd
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 X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and
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 The crystal structures of some natural and synthetic apatite-like
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 The Crystal Structures of Some Natural and Synthetic Apatite-Like
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formula: (Na Ca) Nb2 O6 F
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pub_title:
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 Kriterien fur hexagonale Raumgruppen und die Kristallstruktur von beta Quarz.
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 Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd
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formula: Tl Cl
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formula: Ni (As.1 Sb.9) S
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pub_title: Roentgenographic observations on ore minerals _cod_database_code 1011234
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formula: K Al S2 O8
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pub_title: Die Kristallstruktur der wasserfreien Alaune R'R'''(SO4)2 _cod_database_code 1011235
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formula: Mn S2
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pub_title: A redetermination of the parameter for Hauerite, Mn S2 _cod_database_code 1011237
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formula: (Mg.7 Fe.3) Si O3
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formula: Cu I
compound: <missing>
pub_title: The crystal structures of the cuprous halides _cod_database_code 1011239
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formula: Fe O1.5
compound: <missing>
pub_title: The Structure of Hematite _cod_database_code 1011240
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formula: Ca5 P3 O13
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formula_title: <missing>
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pub_title:
 The Crystal Structures of Some Natural and Synthetic Apatite-Like
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formula: (Na3 Ca) Al3 Si3 S O16
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pub_title: Kristallstruktur von Hauyn und Nosean _cod_database_code 1011244
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formula: Mg Fe2 O4
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formula_title: <missing>
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pub_title:
 Ricerche sugli Spinelli.- II- I Composti. Cu Al2 O4, Mg Al2 O4 , Mg Fe2
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formula: Mg Cl2 O6
compound: <missing>
pub_title: Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat. _cod_database_code 1011249
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formula: Ni3 S2
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pub_title: Die Kristallstruktur von Ni3 S2 _cod_database_code 1011250
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formula: Cd S
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pub_title: Zur Kenntnis der Faerbung von gefaelltem Cadmiumsulfid _cod_database_code 1011251
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formula: Ca2 Si2 Zn O7
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pub_title: The Structure of Hardystonite Ca2 Zn Si2 O7 _cod_database_code 1011252
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formula: Sn S
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pub_title: Ergebnisse der Strukturbestimmung komplexer Sulfide. I: SnS und PbSnS2 _cod_database_code 1011253
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formula: Cl Si5 Al13 O29 F9
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pub_title: The crystal structure of zunyite, Al13 Si5 O20 ((O H), F)18 Cl _cod_database_code 1011254
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formula: O12 Si3 Al2 Na2
compound: <missing>
pub_title: The structures of fibrous zeolites _cod_database_code 1011255
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formula: Si Zn2 O5
compound: <missing>
pub_title: The Structure of Hemimorphite (H2 Zn2 Si O5) _cod_database_code 1011257
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formula: Zn O
compound: <missing>
pub_title: Ueber Lauephotogramme und Struktur von Zinkit. _cod_database_code 1011258
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formula: Zn O
compound: <missing>
pub_title: Die Struktur von Zn O. _cod_database_code 1011259
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gamma: 120
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formula: Mn3 O4
compound: <missing>
pub_title: Ueber die Kristallstruktur von Hausmannit (Mn Mn2 O4). _cod_database_code 1011262
formula_title: <missing>
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pub_title:
 Die Kristallstruktur von Zirkon und die Kriterien fur spezielle Lagen
 in tetragonalen Raumgruppen.
 _cod_database_code 1011263

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pub_title: Ueber die Kristallstruktur von Bixbyit, sowie vom kuenstlichen Mn2 O3. _cod_database_code 1011264
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pub_title: The crystalline structure of zircon. _cod_database_code 1011265
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pub_title:
 The Crystal Structure of Bixbyite and the C-Modification of the
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pub_title: The crystalline structure of hambergite Be2BO3(OH) _cod_database_code 1011268
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pub_title: Spinel structures: with and without variate atom equipoints _cod_database_code 1011276
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pub_title:
 Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti
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formula_title: <missing>
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c: 8.280
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beta: 90
gamma: 90
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pub_title:
 Ricerche sugli Spinelle.- II. I composti. Cu Al2 O4, Mg Al2 O4, Mg Fe2
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b: 10.23
c: 10.23
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cell_volume: 1070.599
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pub_title:
 Roentgenuntersuchung der Verbindungen Na Sb (O H)6, Na Sb F6, Na Sb O3
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pub_title: Crystal structure of Na F _cod_database_code 1011282
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pub_title:
 Kristallstrukturelle Untersuchungen an Borazit
 Note: this is the high-temperature modification
 _cod_database_code 1011284

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formula: Fe As
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pub_title: Phosphides and arsenides with modified nickel-arsenide structure _cod_database_code 1011285
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formula: Mo S2
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pub_title: Ueber die Kristallstruktur des Molybdaenglanzes. _cod_database_code 1011286
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pub_title:
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 _cod_database_code 1011287

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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: V2 O5
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pub_title: Die Kristallstruktur des Vanadiumpentoxyds _cod_database_code 1011291
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formula: K Sb O3
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pub_title: X-ray studies on potassium antimonates _cod_database_code 1011292
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b: 9.6
c: 9.6
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beta: 90
gamma: 90
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formula: O4 C Na2 H2
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pub_title: Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O _cod_database_code 1011295
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beta: 90
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formula: Y F3
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pub_title: Die Kristallstruktur des kubischen Yttriumfluorids Y F3 _cod_database_code 1011296
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b: 5.644
c: 5.644
alpha: 90
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formula: Fe2 As
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pub_title: The crystal structure of Cu2 Sb and Fe2 As _cod_database_code 1011298
formula_title: As Fe2
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formula: Si V3
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pub_title: Ueber das Vanadiumsilicid, V3 Si _cod_database_code 1011299
formula_title: Si V3
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formula: N Br
compound: <missing>
formula_title: Br H4 N
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b: 3.988
c: 3.988
alpha: 90
beta: 90
gamma: 90
cell_volume: 63.426
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pub_title:
 The crystal structure of the ammonium halides above and below the
 transition temperature
 _cod_database_code 1011300

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formula: Al P
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formula_title: Al P
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b: 5.42
c: 5.42
alpha: 90
beta: 90
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cell_volume: 159.220
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pub_title:
 Struttura cristallina di alcuni fosfuri di metalli bivalenti e
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 _cod_database_code 1011301

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formula: Ba2 Ni N6 O12
compound: <missing>
formula_title: Ba2 N6 Ni O12
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b: 10.67
c: 10.67
alpha: 90
beta: 90
gamma: 90
cell_volume: 1214.768
crystal_density: 3.332
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pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
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formula: Sr2 Ni N6 O12
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formula_title: N6 Ni O12 Sr2
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pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
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formula: Pb2 Ni N6 O12
compound: <missing>
formula_title: N6 Ni O12 Pb2
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b: 10.55
c: 10.55
alpha: 90
beta: 90
gamma: 90
cell_volume: 1174.241
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pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
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 _cod_database_code 1011304

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formula: Ca B6
compound: <missing>
pub_title: The structure of calcium boride, Ca B6 _cod_database_code 1011310
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formula: K2 Os Cl6
compound: <missing>
formula_title: Cl6 K2 Os
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b: 9.729
c: 9.729
alpha: 90
beta: 90
gamma: 90
cell_volume: 920.883
crystal_density: 3.470
atoms_sites: ["K1", "Os1", "Cl1"]
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pub_title:
 The crystal structure of potassium chlorosmate, K2 Os Cl6, and of
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 _cod_database_code 1011311

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formula: K2 Os Br6
compound: <missing>
formula_title: Br6 K2 Os
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b: 10.30
c: 10.30
alpha: 90
beta: 90
gamma: 90
cell_volume: 1092.727
crystal_density: 4.546
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pub_title:
 The crystal structure of potassium chlorosmate, K2 Os Cl6, and of
 potassium bromosmate, K2 Os Br6
 _cod_database_code 1011312

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formula: Rb Cl
compound: <missing>
formula_title: Cl Rb
a: 3.742
b: 3.742
c: 3.742
alpha: 90
beta: 90
gamma: 90
cell_volume: 52.398
crystal_density: 3.832
atoms_sites: ["Rb1", "Cl1"]
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pub_title:
 Ueber polymorphe Umwandlungen bei einfachen Ionengittern. II. Versuche
 zur Umwandlung: Na Cl vers. Cs Cl - Gitter.
 _cod_database_code 1011313

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formula: Li Cl
compound: <missing>
formula_title: Cl Li
a: 5.12952
b: 5.12952
c: 5.12952
alpha: 90
beta: 90
gamma: 90
cell_volume: 134.968
crystal_density: 2.086
atoms_sites: ["Li1", "Cl1"]
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pub_title:
 Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen
 (Li Cl, Na Br).
 _cod_database_code 1011314

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formula: Na Br
compound: <missing>
formula_title: Br Na
a: 5.96095
b: 5.96095
c: 5.96095
alpha: 90
beta: 90
gamma: 90
cell_volume: 211.810
crystal_density: 3.227
atoms_sites: ["Na1", "Br1"]
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pub_title:
 Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen
 (Li Cl, Na Br).
 _cod_database_code 1011315

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formula: Ti N
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011316
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b: 4.4
c: 4.4
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cell_volume: 85.184
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qdat:
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formula: V N
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011318
formula_title: N V
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b: 4.28
c: 4.28
alpha: 90
beta: 90
gamma: 90
cell_volume: 78.403
crystal_density: 5.502
atoms_sites: ["V1", "N1"]
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qdat:
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formula: Nb N
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011319
formula_title: N Nb
a: 4.41
b: 4.41
c: 4.41
alpha: 90
beta: 90
gamma: 90
cell_volume: 85.766
crystal_density: 8.280
atoms_sites: ["Nb1", "N1"]
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qdat:
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formula: Ti C
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011320
formula_title: <missing>
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b: 4.6
c: 4.6
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.336
crystal_density: 4.087
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qdat:
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formula: Zr C
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011322
formula_title: ZrC
a: 4.76
b: 4.76
c: 4.76
alpha: 90
beta: 90
gamma: 90
cell_volume: 107.850
crystal_density: 6.358
atoms_sites: ["Zr1", "C1"]
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qdat:
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formula: Ta C
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011324
formula_title: <missing>
a: 4.49
b: 4.49
c: 4.49
alpha: 90
beta: 90
gamma: 90
cell_volume: 90.519
crystal_density: 14.159
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formula: Be O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011325
formula_title: Be O
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b: 3.796
c: 3.796
alpha: 90
beta: 90
gamma: 90
cell_volume: 54.699
crystal_density: 3.037
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qdat:
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formula: Ca O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011327
formula_title: <missing>
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b: 4.778
c: 4.778
alpha: 90
beta: 90
gamma: 90
cell_volume: 109.078
crystal_density: 3.415
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formula: Sr O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011328
formula_title: O Sr
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formula: Pd O
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pub_title: Ossidi di palladio _cod_database_code 1011329
formula_title: O Pd
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beta: 90
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formula: Sn S2
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pub_title: Die Kristallstruktur von Sn S2 _cod_database_code 1011330
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formula: Hg Cl4 K2 O H2
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pub_title: The crystal structure of K2 Hg Cl4 * H2 O _cod_database_code 1011331
formula_title: Cl4 H2 Hg K2 O
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formula: Cd Cl2
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pub_title: The crystal structure of cadmium chloride _cod_database_code 1011332
formula_title: CdCl2
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formula: Pt S
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 73.449
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pub_title:
 Determination of minerals in platinum concentrates from the transvall
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 _cod_database_code 1011334

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formula: S Ag2
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formula_title: Argentite
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pub_title:
 Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und
 Telluride des Silbers und des einwertigen Kupfers
 _cod_database_code 1011337

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pub_title:
 Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und
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pub_title:
 Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und
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formula: Ti Fe2 O5
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pub_title: The crystal structure of pseudobrookite _cod_database_code 1011342
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formula: Fe Si
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pub_title: Ueber den Kristallbau des Eisensilizides FeSi _cod_database_code 1011343
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formula: Rh2 P
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pub_title:
 Ueber die Strukturen des Uransubsulfids und der Subphosphide des
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 _cod_database_code 1011344

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formula: Zr Si3 Na2 O11.001
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pub_title: Die Struktur des Katapleits (Na2 Zr Si3 O9 * 2(H2 O)) _cod_database_code 1011345
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formula: (As.5 Sb.5)
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pub_title: Roentgenanalyse des Systems Arsen-Antimon _cod_database_code 1011346
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formula: Mg3 As2
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formula_title: As2 Mg3
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c: 12.33
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pub_title:
 Bindungsart und Gitterbau binaerer Magnesiumverbindungen. 12.
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formula: Pd As2
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formula_title: As2 Pd
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pub_title:
 Ueber Kristallstrukturen einiger binaerer Verbindungen der
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formula: Zn3 As2
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pub_title:
 Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums.
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 _cod_database_code 1011349

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formula: Ce F3
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formula_title: <missing>
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pub_title:
 Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
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 _cod_database_code 1011350

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formula_title: <missing>
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c: 5.24
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beta: 90
gamma: 90
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pub_title:
 Die Strukturen von Mn O, Mn S, Ag F, Ni S, Sn I4, Sr Cl2, Ba F2,
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 _cod_database_code 1011351

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formula: Mn Te2
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formula_title: Mn Te2
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b: 6.943
c: 6.943
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pub_title:
 The crystal structure of manganese diselenide and manganese ditelluride
 _cod_database_code 1011352

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formula: In Sb
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pub_title: Sulla struttura dei composti In P, In As e In Sb _cod_database_code 1011354
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formula: Sr Cl2 O6
compound: <missing>
pub_title: On the structure of Sr Cl2 (H2 O)6 _cod_database_code 1011356
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b: 7.94
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beta: 90
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formula: Pt K2 Cl6
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pub_title: Die Kristallstrukturen einiger Hexachlorokomplexsalze. _cod_database_code 1011358
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pub_title:
 Untersuchungen ueber die Kristallstruktur der Nitride und Phosphide
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 _cod_database_code 1011360

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pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011361
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formula: Ba O
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pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011362
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pub_title: Die Raumgitter der Lithiumhalogenide. _cod_database_code 1011363
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beta: 90
gamma: 90
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formula: Fe Se
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formula_title: <missing>
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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
 Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
 Verbindungen
 _cod_database_code 1011366

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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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 _cod_database_code 1011367

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pub_title:
 Roentgenographische Untersuchungen an natuerlichem und synthetischem
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 _cod_database_code 1011368

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formula: Hg S
compound: <missing>
pub_title: The cyrstal-structures of the sulphides of mercury. _cod_database_code 1011369
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formula: Hg I
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pub_title: Crystal structure of the mercurous halides _cod_database_code 1011370
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formula: Ir2 P
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formula_title: Ir2 P
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pub_title:
 Ueber die Strukturen des Uransubsulfids und der Subphosphide des
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 _cod_database_code 1011371

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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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 _cod_database_code 1011372

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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
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pub_title: Herstellung und Kristallbau der Verbindungen Tl Al F4 und Tl2 Al F5 _cod_database_code 1011379
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pub_title:
 Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des
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pub_title:
 Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt
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pub_title: Das magnetische Verhalten der allotropen Modifikationen des Mangan(II)- Sulfides
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 The crystal structure of alpha'-modification of dicalcium silicate Ca
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 X-Ray Diffraction Studies of Systems Involved in the Preparation of
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pub_title: Crystal structureand infrared spectra of Li2Al2B2O7 _cod_database_code 1100047
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 Synthesis and structural study of new rarte earth sodium
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pub_title: The Crystal Structure of Magnesium Thiosulphate Hexahydrate _cod_database_code 1100072
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 Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S2 O3
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 The structure of the magnesium hydroxide sulfate hydrate MgSO4.1/3Mg(OH)2.1/3H2O
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 Structure de la forme hautes temperatures du sulfate anhydre de
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pub_title:
 Refinement of the structure of magnesium thiosulphate hexahydrate, MgS2O3(H2O)6
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 Deformation Density in Complex Anions. IV. Magnesium Thiosulfate
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pub_title:
 Deformation Density in Complex Anions. IV. Magnesium Thiosulfate
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cell_volume: 204.783
crystal_density: 1.723
atoms_sites: ["Mg1", "S1", "O1", "O2", "O3", "H1", "H2", "H3", "H4"]
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pub_title:
 Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, Mg Te,
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pub_title: Deformation density in magnesium sulfite hexahydrate. _cod_database_code 1100081
formula_title: H12 Mg O9 S
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formula: Mg S2 O8 H2
compound: <missing>
pub_title: Crystal structure of Mg (H S O4)2 _cod_database_code 1100084
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pub_title: Crystal structure of acid magnesium sulphate Mg:SO3(OH):2:SO2(OH)2:2 _cod_database_code 1100085
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formula: S2 Mg O9 H4
compound: <missing>
pub_title: Ueber die Bildung und Kristallstruktur von Mg(HSO4)2 * H2O _cod_database_code 1100086
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formula: Mg S O5 H2
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pub_title: Affinement de la structure de la Kieserite Mg (S O4) (H2 O) _cod_database_code 1100087
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formula: Mg S O5 H2
compound: <missing>
pub_title: Das Kristallgitter des Kieserits MgSO4*H2O
formula_title: <missing>
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formula: Mg3 S.5 O8
compound: <missing>
formula_title: H14 Mg6 O16 S
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b: 3.105
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beta: 90
gamma: 90
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pub_title:
 Structure of Mg6 S O2 (O H)14 determined by micro single-crystal X-ray
 diffraction
 _cod_database_code 1100095

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formula: Mg3 S2 O10
compound: <missing>
formula_title: H2 Mg3 O10 S2
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c: 12.885
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beta: 90
gamma: 90
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pub_title:
 Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and
 solid solution in magnesium hydroxide sulfate hydrate and caminite
 _cod_database_code 1100099

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formula: S Mg O4
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pub_title: Kristallstruktur von Mg S O3 * H2 O _cod_database_code 1100102
formula_title: H2 Mg O4 S
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formula: Mg S O9
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formula_title: H12 Mg O9 S
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c: 9.075
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beta: 90
gamma: 120
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pub_title:
 Etude de la structure cristalline du sulfite de magnesium hexahydrate,
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 _cod_database_code 1100103

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formula: La.97 Sr1.028 Mn Co O6
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pub_title: LaSrMnCoO6: A new cubic double perovskite oxide _cod_database_code 1100104
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 Note: X-ray single-crystal

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pub_title:
 Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
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 Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
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 Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
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formula: Ca4 Si2 O7 F2
compound: Fuka, Okayama Prefecture, Japan
pub_title: The refinement of the crystal structure of cuspidine
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compound: <missing>
pub_title: Structure of potassium sulfate at temperatures from 296K down to 15K _cod_database_code 1200012
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formula: K N O3
compound: <missing>
formula_title: KNO3
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b: 5.425
c: 9.836
alpha: 90
beta: 90
gamma: 120
cell_volume: 250.697
crystal_density: 2.009
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pub_title:
 The crystal structures of gamma- and beta-KNO3 and the alpha-
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formula: O4 Al2.669
compound: <missing>
pub_title: The preparation of eta alumina and its structure _cod_database_code 1200015
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formula: Se2 Sb Ni5.718
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formula_title: Ni5.72 Sb Se2
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pub_title:
 Synthesis and Properties of a New Metal-Rich Nickel Antimonide
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 _cod_database_code 1200020

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formula: Ti.942 Ni.106
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pub_title:
 Structural refinement of neutron powder diffraction data of two-stage
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pub_title:
 Structural refinement of neutron powder diffraction data of two-stage
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formula_title: Ti50.75Ni47.75Fe1.50
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pub_title:
 Structural refinement of neutron powder diffraction data of two-stage
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formula: Ca2 Si O4
compound: Mt. Lakargi, Upper Chegem Plateau, northern Caucasus,
pub_title: Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia
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formula: Ca2 Mg.49 Cr.824 Al1.686 Si3 O14 H4
compound: Sarany, Ural Mountains, Russia
formula_title: <missing>
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alpha: 90
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cell_volume: 995.430
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pub_title:
 X-ray single-crystal and optical spectroscopic study of chromian pumpellyite
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formula: Ca1.3 Mn1.13 Sr.19 La.03 Ce.05 Nd.02 Al1.83 Fe1.11 Si3 O12.87 H.87
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pub_title:
 Crystal chemistry of Mn2+-, Sr-rich and REE-bearing piemontite from the
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formula: Cu Cl2 N2 H6
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formula_title: <missing>
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b: 10.645
c: 5.736
alpha: 90
beta: 90
gamma: 90
cell_volume: 469.427
crystal_density: 2.384
atoms_sites: ["Cu", "Cl1", "Cl2", "N", "H1", "H2"]
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 Ammineite, CuCl2(NH3)2, a new species containing an ammine complex:
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formula: S6 Mg4 Ca3 O24
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b: 16.581
c: 7.348
alpha: 90
beta: 90
gamma: 120
cell_volume: 1749.529
crystal_density: 3.014
atoms_occupancy: 0
pub_title:
 The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps
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formula: Cu18 Cl3.9 O36.36 N.66 S.18 H34.32
compound: Likasi, Democratic Republic of Congo
formula_title: <missing>
a: 15.739
b: 15.739
c: 9.127
alpha: 90
beta: 90
gamma: 120
cell_volume: 1958.001
crystal_density: 3.245
atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Cu4", "Cl3", "Cl1", "O-H1", "O-H2", "O-H3", "O-H4"]
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pub_title:
 A single crystal X-ray study of a sulphate-bearing buttgenbachite,
 Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination
 of the crystal chemistry of the buttgenbachite-connellite series
 Note: T = 100 K

atoms_sites:
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formula: Cu18 Cl3.9 O34.11 N.66 S.18 H32.07
compound: Likasi, Democratic Republic of Congo
formula_title: <missing>
a: 15.739
b: 15.739
c: 9.127
alpha: 90
beta: 90
gamma: 120
cell_volume: 1958.001
crystal_density: 3.181
atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Cu4", "Cl3", "Cl1", "O-H1", "O-H2", "O-H3", "O-H4"]
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pub_title:
 A single crystal X-ray study of a sulphate-bearing buttgenbachite,
 Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination
 of the crystal chemistry of the buttgenbachite-connellite series
 Note: T = 288 K

atoms_sites:
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formula: K.98 (Na1.81 Ca.19) Mg3.09 Fe1.73 Ti.12 Al.01 Zn.01 Mn.04 Si8 O22.97 F1.03 H.73
compound: Monte Metocha, Xixano region, Mozambique
formula_title: <missing>
a: 9.9591
b: 17.9529
c: 5.2867
alpha: 90
beta: 104.340
gamma: 90
cell_volume: 915.783
crystal_density: 3.194
pub_title:
 Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite
 from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype
 from Quebec, Canada

atoms_sites:
["KAm", "NaM4", "CaM4", "MgM1", "Fe2+M1", "TiM1", "Fe3+M2", "MgM2", "Fe2+M2", "AlM2", "ZnM2", "MgM3", "Fe2+M3", "MnM3", "SiT1", "SiT2", "O1", "O2", "F3", "O3", "O4", "O5", "O6", "O7", "H"]

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atoms_aniso_label:
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qdat:
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formula: K.691 Na.281 Ca2.03 Mg3.64 Fe.51 Al2.99 Ti.05 Mn.01 Si5.8 O22.74 F1.26 H.74
compound: Tranomaro area, Madagascar
formula_title: <missing>
a: 9.9104
b: 17.9739
c: 5.3205
alpha: 90
beta: 105.534
gamma: 90
cell_volume: 913.114
crystal_density: 3.153
pub_title:
 Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the
 Tranomaro area, Madagascar: mineral description and crystal chemistry

atoms_sites:
["KA", "NaA", "CaA", "KAm", "NaAm", "CaAm", "KA2", "NaA2", "CaA2", "CaM4", "MgM1", "Fe2+M1", "MgM2", "AlM2", "Fe2+M2", "Fe3+M2", "TiM2", "MgM3", "Fe2+M3", "Mn2+M3", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "F3", "O3", "O4", "O5", "O6", "O7", "H"]

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formula: Pb1.934 Cu1.894 Se.85 S1.15 O11 H8
compound: Otto Mountain, San Bernardino County, California, USA
formula_title: <missing>
a: 9.802
b: 5.675
c: 9.281
alpha: 90
beta: 102.443
gamma: 90
cell_volume: 504.141
crystal_density: 5.330
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pub_title:
 The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4,
 from Otto Mountain, San Bernardino County, California, USA

atoms_sites:
["Pb1", "Pb2", "Cu", "Se", "S", "S", "O11", "O12", "O21", "O22", "O23", "O-H1", "H1", "O-H2", "H2", "O-H3", "H3", "O-H4", "H4"]

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formula: Be F2
compound: Synthetic
pub_title: Single crystal X-ray structure of BeF2: alpha-quartz
formula_title: BeF2
a: 4.7390
b: 4.7390
c: 5.1875
alpha: 90
beta: 90
gamma: 120
cell_volume: 100.893
crystal_density: 2.321
atoms_sites: ["Be", "F"]
atoms_x: wK8cAEBqGQA=
atoms_y: AAAAAHBNEAA=
atoms_z: VVgUALABDQA=
atoms_occupancy: 0
atoms_u_iso: oAkBAECWAQA=
atoms_aniso_label: ["Be", "F"]
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atoms_aniso_u22: APoAAAB3AQA=
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qdat:
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formula: K (Mg2.235 Fe.765) Si4 O12 H1.59
compound: Mt. Vulture, Italy
formula_title: <missing>
a: 5.3416
b: 9.2411
c: 10.2332
alpha: 90
beta: 99.983
gamma: 90
cell_volume: 497.486
crystal_density: 2.951
atoms_sites: ["K", "MgM1", "FeM1", "MgM2", "FeM2", "Si", "O1", "O2", "O3", "O4", "H"]
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atoms_aniso_label: ["K", "MgM1", "FeM1", "MgM2", "FeM2", "Si", "O1", "O2", "O3", "O4", "H"]
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pub_title:
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC6_R7

qdat:
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compound: Mt. Vulture, Italy
formula_title: <missing>
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cell_volume: 497.499
crystal_density: 2.961
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pub_title:
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC6_R29

qdat:
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formula: K (Mg2.335 Fe.665) Si4 O12 H1.072
compound: Mt. Vulture, Italy
formula_title: <missing>
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b: 9.2355
c: 10.2267
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cell_volume: 496.329
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pub_title:
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC7_R2

qdat:
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formula: K (Mg2.075 Fe.925) Si4 O12 H.39
compound: Mt. Vulture, Italy
formula_title: <missing>
a: 5.3237
b: 9.2149
c: 10.1597
alpha: 90
beta: 99.970
gamma: 90
cell_volume: 490.881
crystal_density: 3.017
atoms_sites: ["K", "MgM1", "FeM1", "MgM2", "FeM2", "Si", "O1", "O2", "O3", "O4", "H"]
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pub_title:
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC7_R4

qdat:
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formula: K (Mg1.9 Fe1.1) Si4 O12 H.24
compound: Mt. Vulture, Italy
formula_title: <missing>
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b: 9.2220
c: 10.1290
alpha: 90
beta: 100.027
gamma: 90
cell_volume: 489.984
crystal_density: 3.059
atoms_sites: ["K", "MgM1", "FeM1", "MgM2", "FeM2", "Si", "O1", "O2", "O3", "O4", "H"]
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pub_title:
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC7_R5

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formula: (Mg.78 Fe.22) Ca9.45 P7 O28
compound: Angra Dos Reis meteorite
pub_title: Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals
formula_title: <missing>
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b: 10.362
c: 37.106
alpha: 90
beta: 90
gamma: 120
cell_volume: 3450.341
crystal_density: 3.104
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atoms_aniso_u13: 0
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atoms_sites:
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formula: Si8 (Ti2.88 Nb1.12) O34.44 Ca.88 K1.34 Ba.02 Na1.64 Sr.04 H12.88
compound: Khibiny Pluton, Kola Peninsula, Russia
formula_title: <missing>
a: 14.529
b: 14.203
c: 7.899
alpha: 90
beta: 117.37
gamma: 90
cell_volume: 1447.533
crystal_density: 2.667
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:
 Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group
 mineral species and its place in low-temperature mineral formation in pegmatites
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atoms_sites:
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formula: Al9 Fe Mg Ca O17 H
compound: Tashelga River, Western Siberia, Russia
pub_title: Crystal structure of complex natural aluminum magnesium calcium iron oxide
formula_title: <missing>
a: 5.6973
b: 17.1823
c: 23.5718
alpha: 90
beta: 90.0
gamma: 90
cell_volume: 2307.508
crystal_density: 3.662
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

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formula: Ca Mn Fe1.95 Mg.29 Al1.76 P4 O26 H18
compound: Hagendorf-Sud, Bavaria, Germany
formula_title: <missing>
a: 14.941
b: 6.9495
c: 10.054
alpha: 90
beta: 111.00
gamma: 90
cell_volume: 974.594
crystal_density: 2.782
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:
 Jahnsite - whiteite solid solutions and associated minerals in
 the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany

atoms_sites:
["CaX", "MnM1", "FeM2a", "MgM2a", "FeM2b", "MgM2b", "AlM3a", "FeM3a", "AlM3b", "FeM3b", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "Wat10", "Wat11", "Wat12", "Wat13"]

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formula: Na2.362 Mn Fe2.958 Al1.85 Mg.928 P6 O24
compound: the Sebastiao Cristino pegmatite, Minas Gerais, Brazil
formula_title: <missing>
a: 11.910
b: 12.383
c: 6.372
alpha: 90
beta: 114.43
gamma: 90
cell_volume: 855.614
crystal_density: 3.558
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral
 from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil

atoms_sites:
["NaX(2)", "MnX(1a)", "NaX(1b)", "FeM(1)", "NaM(1)", "AlM(2a)", "FeM(2a)", "FeM(2b)", "MgM(2b)", "P(1)", "P(2a)", "P(2b)", "O(1a)", "O(1b)", "O(2a)", "O(2b)", "O(3a)", "O(3b)", "O(4a)", "O(4b)", "O(5a)", "O(5b)", "O(6a)", "O(6b)"]

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