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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 8.167 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 9.73 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.37
 Note: P = 0.0001 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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 Note: x = 0.37
 Note: P = 2.015 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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 Note: x = 0.37
 Note: P = 3.729 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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 Note: x = 0.37
 Note: P = 6.267 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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 Note: x = 0.37
 Note: P = 8.89 GPa

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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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 Note: x = 0.55
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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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pub_title:
 The effect of oxygen vacancies and aluminium substitution on the
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formula: Mn O2
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pub_title: The structure of the modifications of manganese oxide
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formula: Mn O2
compound: <missing>
pub_title: The structure of the modifications of manganese oxide
formula_title: MnO2
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 Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil:
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 Redetermination and crystallographic analysis of the structure of
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 Electron density in synthetic eskolaite Cr2O3 with a corundum structure
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pub_title:
 Residual electron density study of chromium sesquioxide
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 Residual electron density study of chromium sesquioxide
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pub_title:
 Residual electron density study of chromium sesquioxide
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 Synchrotron X-ray study of the electron density in alpha-Fe2O3
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formula: (Ca1.5 Na.5) Mg.39 Al.41 Fe.16 Si2 O7
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formula: (Ca.58 Na.42) Mg.5 Fe.5 Si2 O6
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pub_title: The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria
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formula: Ca C O3
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pub_title:
 Temperature dependence of the structural parameters
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pub_title:
 Temperature dependence of the structural parameters
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pub_title:
 Temperature dependence of the structural parameters
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formula: Ca C O3
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 Temperature dependence of the structural parameters
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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
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pub_title:
 Temperature dependence of the structural parameters
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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 Note: Crystal A
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pub_title:
 Neutron and X-ray diffraction studies on tapiolite and
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formula: (U.47 Ca.53) O2
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formula_title: <missing>
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pub_title:
 Vorlanite (Ca(U6+)O4 - A new mineral from the Upper Chegem caldera,
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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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compound: the Harmstorf deposit, Werratal, Hessen, Germany
pub_title: Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3
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formula: Fe3 C
compound: <missing>
pub_title: Cementitens kristallstruktur _cod_database_code 1010961
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formula: O Cu2
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formula_title: <missing>
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b: 4.258
c: 4.258
alpha: 90
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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 _cod_database_code 1010963

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formula: Cr N
compound: <missing>
formula_title: <missing>
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c: 4.144
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beta: 90
gamma: 90
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pub_title:
 Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten
 Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms
 _cod_database_code 1010974

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formula: As Cu3
compound: <missing>
pub_title: The crystal structure of Cu3As and Cu3P _cod_database_code 1010975
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formula: Ce F3
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formula_title: <missing>
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b: 7.137
c: 7.295
alpha: 90
beta: 90
gamma: 120
cell_volume: 321.801
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pub_title:
 Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
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formula: Pb O
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pub_title: The crystal structure of tetragonal lead monoxide _cod_database_code 1010977
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formula: K F
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formula: O5 P Cu2
compound: <missing>
pub_title: Die Struktur des Libethenites Cu2 (O H) (P O4) _cod_database_code 1010980
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gamma: 90
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formula: Ca S O6
compound: <missing>
pub_title: On the crystal structure of gypsum Ca S O4 (H2 O)2 _cod_database_code 1010981
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formula: Cu3 As
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pub_title: The crystal structure of Cu3As and Cu3P _cod_database_code 1010982
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 Les structures des cristaux de Northupite, de Northupite bromee et de
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pub_title: Die Struktur des Pentacalciumtrialuminats _cod_database_code 1011034
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 Roentgenographische Untersuchungen der Kristallstrukturen von
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 Roentgenographische Untersuchungen der Kristallstrukturen von
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formula: Ca Si2 O8 B2
compound: <missing>
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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pub_title: Das Raumgitter des Kadmiumoxyds. _cod_database_code 1011051
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formula: Ni As
compound: <missing>
formula_title: <missing>
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b: 3.57
c: 5.1
alpha: 90
beta: 90
gamma: 120
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pub_title:
 Untersuchungen ueber die Kristallstrukturen von Wurtzit und
 Rotnickelkies.
 _cod_database_code 1011052

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formula: C Si
compound: <missing>
pub_title: Die Gitterstruktur des Karborunds ( Si C ) I. _cod_database_code 1011053
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formula: Cd S
compound: <missing>
formula_title: <missing>
a: 4.15
b: 4.15
c: 6.737
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beta: 90
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pub_title:
 Ueber die Kristallstruktur des alpha- und $-beta Cd S, sowie des
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 _cod_database_code 1011054

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formula: Ca3 Al2 Si3 O12
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pub_title: Die Kristallstruktur von Granat. _cod_database_code 1011055
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formula: Co3 S4
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formula_title: <missing>
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pub_title:
 Ueber die Kristallstruktur von Linneit einschliesslich Polydymit und
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 _cod_database_code 1011056

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formula: Ca Mg Si2 O6
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pub_title: The structure of diopside, Ca Mg (Si O3)2. _cod_database_code 1011057
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formula: Tl2 (Si3 Al2) O10
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pub_title: An X-ray examination of substituted Edingtonites. _cod_database_code 1011059
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formula: C
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pub_title: Ueber die Kristallstruktur des Graphits. _cod_database_code 1011060
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formula: O H2
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pub_title: The Structure of Ice II _cod_database_code 1011063
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formula: Na Nb O3
compound: <missing>
formula_title: <missing>
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c: 3.906
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beta: 90
gamma: 90
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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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formula: Cu K2 Cl4 O2
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pub_title:
 The Crystal Structure of ammonium, potassium and rubidium cupric
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 _cod_database_code 1011065

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formula: V2 O3
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: Cr2 O3
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 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: Na K2 Al F6
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pub_title: Ueber die Kristallstrukturen der Kryolithgruppe _cod_database_code 1011068
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formula: Hg Cl
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formula: Hg Br
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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: Be Al Si O5
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pub_title: The structure of Euclase H Be Al Si O5 _cod_database_code 1011072
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 Etude cristallographique d'une leucite artificielle. Structure atomique
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 Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite,
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formula: Si O2
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pub_title: Die Bindung im Quarz _cod_database_code 1011097
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pub_title: The crystal structure of tellurium _cod_database_code 1011098
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pub_title: An X-ray examination of titanium nitride III _cod_database_code 1011099
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formula: Ti N
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pub_title: Titancarbid in grauem Gusseisen _cod_database_code 1011102
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formula: Pt
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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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formula: Pt
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formula: Pd
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pub_title: Crystal structures in the system Pd-H2 _cod_database_code 1011110
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formula: Pt
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formula: Pd
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formula: Pt
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formula: Pt
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pub_title: Beugung der Roentgenstrahlen in mikrokrystallinen Strukturen _cod_database_code 1011114
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formula: C2 O5 N2 H2
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formula_title: <missing>
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formula: Pb
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formula: O5 As Cu2
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formula: S7 Fe4 Cu2
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formula: V2 O5
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pub_title: Die Kristallstruktur des Vanadinpentoxyds _cod_database_code 1011126
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formula_title: <missing>
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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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formula: Nb2 Ca2 O7
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pub_title: Die Kristallstrukturen von Loparit und Pyrochlor. _cod_database_code 1011128
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pub_title:
 Crystal structure and shape of colloidal particles of vanadium pentoxide
 _cod_database_code 1011174

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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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 Verbindungen
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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
 Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
 Verbindungen
 _cod_database_code 1011179

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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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 Verbindungen
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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
 Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
 Verbindungen
 _cod_database_code 1011181

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formula: Na6 S2 O8 F Cl
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pub_title: The crystal structure of sulphohalite _cod_database_code 1011182
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formula: Te O2
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pub_title: The crystal structure of tellurite (Te O2) _cod_database_code 1011183
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formula: S Na2 O4
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pub_title: The crystal structure of anhydrous sodium sulfate Na2 S O4 _cod_database_code 1011184
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formula: Cl Na4 Si3 Al3 O12
compound: <missing>
pub_title: The structure of sodalite and helvite _cod_database_code 1011185
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formula: K2 Cr O4
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pub_title: The crystal structure of potassium chromate K2 Cr O4 _cod_database_code 1011186
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pub_title:
 Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp
 ABC2
 _cod_database_code 1011188

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formula: Li Al Si2 O6
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pub_title: The crystal structure of monoclinic pyroxenes _cod_database_code 1011191
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pub_title:
 Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp
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formula: Mg O
compound: <missing>
pub_title: Ueber die Kristallstruktur des Periclas. _cod_database_code 1011193
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b: 4.198
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formula: Cu O
compound: <missing>
pub_title: Die Kristallstruktur einiger Oxyde I. _cod_database_code 1011194
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b: 3.43
c: 5.12
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beta: 99.53
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formula: Be Al2 O4
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pub_title: Die Kristallstruktur von Crysoberyll (Be Al2 O4). _cod_database_code 1011197
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formula: Fe O
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pub_title: Herstellung und Kristallstruktur von Ferrooxyd (Fe O). _cod_database_code 1011198
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formula: Hg Se
compound: <missing>
pub_title: Die Struktur des Tiemannit und Koloradoit _cod_database_code 1011199
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formula: Si O2
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pub_title:
 Kriterien fur hexagonale Raumgruppen und die Kristallstruktur von beta Quarz.
 _cod_database_code 1011200

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formula: Mg Ca Si O4
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pub_title: The structure of monticellite (Mg Ca Si O4). _cod_database_code 1011202
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formula: Co As3
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pub_title: Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit. _cod_database_code 1011203
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 Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd
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 Eine fur Praezisionsbestimmungen von Gitterkonstanten nach der Debye-
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pub_title:
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 The Crystal Structures of Some Natural and Synthetic Apatite-Like
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pub_title:
 Ricerche sugli Spinelli.- II- I Composti. Cu Al2 O4, Mg Al2 O4 , Mg Fe2
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 Die Kristallstruktur von Zirkon und die Kriterien fur spezielle Lagen
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 _cod_database_code 1011263

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formula: Zr Si O4
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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: 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: Zn Cr2 O4
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formula_title: <missing>
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pub_title:
 Ricerche sugli Spinelle.- II. I composti. Cu Al2 O4, Mg Al2 O4, Mg Fe2
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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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formula: Mg3 B7 O13 Cl
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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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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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formula: Y F3
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pub_title: Die Kristallstruktur des kubischen Yttriumfluorids Y F3 _cod_database_code 1011296
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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
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b: 3.627
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beta: 90
gamma: 90
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formula: Si V3
compound: <missing>
pub_title: Ueber das Vanadiumsilicid, V3 Si _cod_database_code 1011299
formula_title: Si V3
a: 4.712
b: 4.712
c: 4.712
alpha: 90
beta: 90
gamma: 90
cell_volume: 104.620
crystal_density: 5.743
atoms_sites: ["Si1", "V1"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAAAAAAA=
atoms_z: AAAAAICEHgA=
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qdat:
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formula: N Br
compound: <missing>
formula_title: Br H4 N
a: 3.988
b: 3.988
c: 3.988
alpha: 90
beta: 90
gamma: 90
cell_volume: 63.426
crystal_density: 2.459
atoms_sites: ["N1", "Br1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structure of the ammonium halides above and below the
 transition temperature
 _cod_database_code 1011300

qdat:
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formula: Al P
compound: <missing>
formula_title: Al P
a: 5.42
b: 5.42
c: 5.42
alpha: 90
beta: 90
gamma: 90
cell_volume: 159.220
crystal_density: 2.418
atoms_sites: ["Al1", "P1"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
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atoms_u_iso: 0
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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:
 Struttura cristallina di alcuni fosfuri di metalli bivalenti e
 trivalenti
 _cod_database_code 1011301

qdat:
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formula: Ba2 Ni N6 O12
compound: <missing>
formula_title: Ba2 N6 Ni O12
a: 10.67
b: 10.67
c: 10.67
alpha: 90
beta: 90
gamma: 90
cell_volume: 1214.768
crystal_density: 3.332
atoms_sites: ["Ba1", "Ni1", "N1", "O1"]
atoms_x: QEIPAAAAAACA3g8AAAAAAA==
atoms_y: QEIPAAAAAAAAAAAAQO8HAA==
atoms_z: QEIPAAAAAAAAAAAAQO8HAA==
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
 bivalenti
 _cod_database_code 1011302

qdat:
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formula: Sr2 Ni N6 O12
compound: <missing>
formula_title: N6 Ni O12 Sr2
a: 10.54
b: 10.54
c: 10.54
alpha: 90
beta: 90
gamma: 90
cell_volume: 1170.905
crystal_density: 2.893
atoms_sites: ["Sr1", "Ni1", "N1", "O1"]
atoms_x: QEIPAAAAAACA3g8AAAAAAA==
atoms_y: QEIPAAAAAAAAAAAAQO8HAA==
atoms_z: QEIPAAAAAAAAAAAAQO8HAA==
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pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
 bivalenti
 _cod_database_code 1011303

qdat:
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formula: Pb2 Ni N6 O12
compound: <missing>
formula_title: N6 Ni O12 Pb2
a: 10.55
b: 10.55
c: 10.55
alpha: 90
beta: 90
gamma: 90
cell_volume: 1174.241
crystal_density: 4.237
atoms_sites: ["Pb1", "Ni1", "N1", "O1"]
atoms_x: QEIPAAAAAACA3g8AAAAAAA==
atoms_y: QEIPAAAAAAAAAAAAQO8HAA==
atoms_z: QEIPAAAAAAAAAAAAQO8HAA==
atoms_occupancy: 0
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pub_title:
 Ricerche chimiche e cristallografiche sui nichelnitriti di metalli
 bivalenti
 _cod_database_code 1011304

qdat:
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formula: Ca B6
compound: <missing>
pub_title: The structure of calcium boride, Ca B6 _cod_database_code 1011310
formula_title: B6 Ca
a: 4.145
b: 4.145
c: 4.145
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.215
crystal_density: 2.447
atoms_sites: ["Ca1", "B1"]
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qdat:
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formula: K2 Os Cl6
compound: <missing>
formula_title: Cl6 K2 Os
a: 9.729
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"]
atoms_x: QEIPAAAAAADg1A4A
atoms_y: QEIPAAAAAAAAAAAA
atoms_z: QEIPAAAAAAAAAAAA
atoms_occupancy: 0
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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:
 The crystal structure of potassium chlorosmate, K2 Os Cl6, and of
 potassium bromosmate, K2 Os Br6
 _cod_database_code 1011311

qdat:
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formula: K2 Os Br6
compound: <missing>
formula_title: Br6 K2 Os
a: 10.30
b: 10.30
c: 10.30
alpha: 90
beta: 90
gamma: 90
cell_volume: 1092.727
crystal_density: 4.546
atoms_sites: ["K1", "Os1", "Br1"]
atoms_x: QEIPAAAAAACA5A4A
atoms_y: QEIPAAAAAAAAAAAA
atoms_z: QEIPAAAAAAAAAAAA
atoms_occupancy: 0
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structure of potassium chlorosmate, K2 Os Cl6, and of
 potassium bromosmate, K2 Os Br6
 _cod_database_code 1011312

qdat:
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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"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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:
 Ueber polymorphe Umwandlungen bei einfachen Ionengittern. II. Versuche
 zur Umwandlung: Na Cl vers. Cs Cl - Gitter.
 _cod_database_code 1011313

qdat:
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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"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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:
 Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen
 (Li Cl, Na Br).
 _cod_database_code 1011314

qdat:
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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"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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:
 Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen
 (Li Cl, Na Br).
 _cod_database_code 1011315

qdat:
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formula: Ti N
compound: <missing>
pub_title: Die Kristallstrukturen einiger binaerer Carbide und Nitride. _cod_database_code 1011316
formula_title: <missing>
a: 4.4
b: 4.4
c: 4.4
alpha: 90
beta: 90
gamma: 90
cell_volume: 85.184
crystal_density: 4.826
atoms_sites: ["Ti1", "N1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
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atoms_aniso_u23: 0
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
a: 4.28
b: 4.28
c: 4.28
alpha: 90
beta: 90
gamma: 90
cell_volume: 78.403
crystal_density: 5.502
atoms_sites: ["V1", "N1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
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"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
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>
a: 4.6
b: 4.6
c: 4.6
alpha: 90
beta: 90
gamma: 90
cell_volume: 97.336
crystal_density: 4.087
atoms_sites: ["Ti1", "C1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
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"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
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
atoms_sites: ["Ta1", "C1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
qdat:
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formula: Be O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011325
formula_title: Be O
a: 3.796
b: 3.796
c: 3.796
alpha: 90
beta: 90
gamma: 90
cell_volume: 54.699
crystal_density: 3.037
atoms_sites: ["Be1", "O1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAIAAAAAAAAAAAAIAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAQAAAAAAAAE==


formula: Ca O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011327
formula_title: <missing>
a: 4.778
b: 4.778
c: 4.778
alpha: 90
beta: 90
gamma: 90
cell_volume: 109.078
crystal_density: 3.415
atoms_sites: ["Ca1", "O1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAABAAAAAAAAAAACAAAAAAAAAAgAAAAAAAAIAAAAAAAAAAAAAAAAgAAAAAAEAAAAAACAAAAAAEAAAAABAAAAAAgAAAAAgA==


formula: Sr O
compound: <missing>
pub_title: Die Gitterstruktur der Erdalkalioxyde. _cod_database_code 1011328
formula_title: O Sr
a: 5.104
b: 5.104
c: 5.104
alpha: 90
beta: 90
gamma: 90
cell_volume: 132.963
crystal_density: 5.176
atoms_sites: ["Sr1", "O1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
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
qdat:
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formula: Pd O
compound: <missing>
pub_title: Ossidi di palladio _cod_database_code 1011329
formula_title: O Pd
a: 3.
b: 3.
c: 5.2
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.800
crystal_density: 4.344
atoms_sites: ["Pd1", "O1"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAIAAAAAAAAAAAAACAAAAABAAAAAAAAAAGAAAAAAAAAAAAAEAAADAAAAAAAGAAAIAAAAAAEAABAAAAAAMAAEAAAAACAAEAAAAAYAAgAAAAEAAwAAAAwACAA==


formula: Sn S2
compound: <missing>
pub_title: Die Kristallstruktur von Sn S2 _cod_database_code 1011330
formula_title: <missing>
a: 3.62
b: 3.62
c: 5.85
alpha: 90
beta: 90
gamma: 120
cell_volume: 66.390
crystal_density: 4.573
atoms_sites: ["Sn1", "S1"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: AAAAAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
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
qdat:
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formula: Hg Cl4 K2 O H2
compound: <missing>
pub_title: The crystal structure of K2 Hg Cl4 * H2 O _cod_database_code 1011331
formula_title: Cl4 H2 Hg K2 O
a: 8.27
b: 11.63
c: 8.89
alpha: 90
beta: 90
gamma: 90
cell_volume: 855.041
crystal_density: 3.407
atoms_sites: ["Hg1", "Cl1", "Cl2", "Cl3", "K1", "K2", "O1", "H1"]
atoms_x: AAAAAODgDACA6g0A4Nv4/wBlBABAeAYAAAAAAEB+BQA=
atoms_y: AAAAAABlBADgFgQAIIkLAMDfFACAzBIAgIQeACALIAA=
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pub_title:
 Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums.
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 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: Die Kristallstrukturen einiger Hexachlorokomplexsalze. _cod_database_code 1011358
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 Untersuchungen ueber die Kristallstruktur der Nitride und Phosphide
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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
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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
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 _cod_database_code 1011366

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pub_title:
 Roentgenographische Untersuchungen der Kristallstrukturen von
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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
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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_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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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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 Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des
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 Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt
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pub_title: The structure of the red modification of tin(II)oxide _cod_database_code 1100020
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pub_title:
 X-Ray Diffraction Studies of Systems Involved in the Preparation of
 Alkaline Earth Sulfide and Selenide Phosphors
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pub_title: Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti2N _cod_database_code 1100029
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formula_title: N Ti2
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pub_title:
 Structure of vacancy-ordered titanium heminitride delta-Ti2 N by
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formula: Ti2 N
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pub_title: Structural Studies on the Titanium-Nitrogen System _cod_database_code 1100031
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formula: Ti N.43
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pub_title:
 The crystal structure of $-eta-Ti3 N2-x: An additonal new phase in the
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pub_title:
 The temperature factor parameters of some transition metal carbides and
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pub_title: The crystal structure of a new phase in the titanium-nitrogen system _cod_database_code 1100040
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pub_title: Structure of Ti Nx studied by electron diffraction and microscopy _cod_database_code 1100041
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formula: Ti5 O5
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pub_title: The ordered structure of Ti O _cod_database_code 1100042
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pub_title: Synthesis and crystal structure of a new compound CaGaBO4 _cod_database_code 1100046
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formula: Al2 B2 Na2 O7
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pub_title: Crystal structureand infrared spectra of Li2Al2B2O7 _cod_database_code 1100047
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formula: Ba Ti B2 O6
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pub_title: A structural study of BaTi(BO3)2 _cod_database_code 1100054
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formula: B5 Ca3 La3 O15
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pub_title: A structural study of Ca3La3(BO3)5 _cod_database_code 1100055
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formula: Mg C Ni3
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pub_title: Debye temperature of the MgCNi3 superconductor _cod_database_code 1100063
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formula: Sr3 B2 O6
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pub_title: Phase relations in the ternary system SrO-TiO2-B2O3 _cod_database_code 1100067
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formula: Mg S2 O9
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pub_title: The Crystal Structure of Magnesium Thiosulphate Hexahydrate _cod_database_code 1100072
formula_title: H12 Mg O9 S2
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compound: Synthetic
formula_title: <missing>
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b: 5.242
c: 12.995
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The structure of the magnesium hydroxide sulfate hydrate MgSO4.1/3Mg(OH)2.1/3H2O
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formula: Mg S O4
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formula_title: Mg O4 S
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c: 6.699
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beta: 90
gamma: 90
cell_volume: 272.399
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pub_title:
 Structure de la forme hautes temperatures du sulfate anhydre de
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formula_title: H12 Mg O9 S
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b: 5.933
c: 5.933
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beta: 96.28
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pub_title:
 Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, Mg Te,
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formula: Mg S O9 H12
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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
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pub_title: Crystal structure of Mg (H S O4)2 _cod_database_code 1100084
formula_title: H2 Mg O8 S2
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formula: Mg S O5 H2
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pub_title:
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pub_title:
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formula: S Mg O4
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pub_title:
 Etude de la structure cristalline du sulfite de magnesium hexahydrate,
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formula: La.97 Sr1.028 Mn Co O6
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 The temperature factor parameters of some transition metal carbides and
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formula: O3 Al2
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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
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formula_title: KNO3
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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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formula: Ti.942 Ni.106
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 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
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pub_title: Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia
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formula: Cu Cl2 N2 H6
compound: Calleta Pabellon de Pica, Tarapaca region, Chile
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pub_title:
 Ammineite, CuCl2(NH3)2, a new species containing an ammine complex:
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formula: Be F2
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pub_title: Single crystal X-ray structure of BeF2: alpha-quartz
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formula: Ba.295 (Ti1.3 V.7) O4
compound: Shiti barite deposit, Ankang County, Shaanxi, China
pub_title: Crystal structure determination of ankangite with one dimensional incommensurate modulation
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formula: Ca2.354 Pb2.646 P3 O12 F
compound: Blue Bell claims, near Baker, San Bernardino County, California, USA
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pub_title:
 Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral
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formula: Sr F2
compound: Khibiny Massif, Kola Peninsula, Russia
pub_title: Strontiofluorite, SrF2, a new mineral species from the Khibiny Massif, Kola Peninsula, Russia
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formula: U S2 O12 H8
compound: Synthetic
pub_title: The crystal structure of U(SO4)2*4H2O
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formula: (Zn.968 Fe.023 Cu.005 In.002 Cd.002) S
compound: Iwodake volcano, Satsuma-Iwojima, Kyushu, SW Japan
formula_title: <missing>
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b: 5.4159
c: 5.4159
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beta: 90
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crystal_density: 4.073
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pub_title:
 Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates:
 matraite identical with sphalerite

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formula: Mg S O8 H8
compound: Calingasta, San Juan Province, Argentina
pub_title: Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina
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formula: (Mg.77 Cr.23) O2.966 H3.224 C.118
compound: Tasmania, Australia
formula_title: <missing>
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b: 3.09552
c: 23.5042
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beta: 90
gamma: 120
cell_volume: 195.049
crystal_density: 2.115
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pub_title:
 The crystal structure of stichtite, re-examination of barbertonite, and the
 nature of polytypism in MgCr hydrotalcites
 Note: 3R1 polytype of stichtite

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pub_title:
 The crystal structure of stichtite, re-examination of barbertonite, and the
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 Note: Sample 84588, 2H1 polytype of stichtite = barbertonite

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pub_title:
 The crystal structure of stichtite, re-examination of barbertonite, and the
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 Note: Sample 92459, 2H1 polytype of stichtite = barbertonite

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pub_title:
 The crystal structure of stichtite, re-examination of barbertonite, and the
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pub_title:
 The crystal structure of stichtite, re-examination of barbertonite, and the
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formula: Cu Cr2 S4
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pub_title:
 Spinelle mit substituierten Nichtmetallteilgittern. IV. Roentgenographische
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pub_title:
 Hydrothermal synthesis and thermal stability of natural mineral lindgrenite
 Note: atomic coordinates transformed to standard setting

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formula: Si O2
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pub_title:
 New insights into the high-pressure polymorphism of SiO2 cristobalite
 Note: P = 3.5 GPa, data transformed from Dove et al (2000)

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pub_title:
 New insights into the high-pressure polymorphism of SiO2 cristobalite
 Note: P = 4.9 GPa
 Note z-coordinate of O2 is corrected

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formula: Si O2
compound: Ellora Caves, India
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formula: Si O2
compound: Ellora Caves, India
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formula: Bi V O4
compound: Schneeberg, Saxony
pub_title: Refinement of pucherite, BiVO4
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formula: Sr Fe2 As2
compound: Synthetic
formula_title: SrFe2As2
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b: 5.5175
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beta: 90
gamma: 90
cell_volume: 378.465
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pub_title:
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 90 K

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formula_title: SrFe2As2
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b: 3.9243
c: 12.3644
alpha: 90
beta: 90
gamma: 90
cell_volume: 190.413
crystal_density: 6.090
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pub_title:
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 297 K

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formula_title: EuFe2As2
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pub_title:
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 10 K

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compound: Synthetic
formula_title: EuFe2As2
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pub_title:
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 297 K

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formula: Pb7 Cl2 F12
compound: <missing>
formula_title: <missing>
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pub_title:
 Laurelite: Its crystal structure and relationship to alpha-PbF2
 Note: Re-examination of the crystal by H Yang and A Kampf showed that
 it was twinned, and the partially occupied sites were relicts.

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formula: Cu3 V2 O8
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pub_title: Crystal structure of a new form of Cu3V2O8
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formula: O H2
compound: Kohen Station, Antarctica
formula_title: <missing>
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b: 4.497479
c: 7.322382
alpha: 90
beta: 90
gamma: 120
cell_volume: 128.269
crystal_density: 0.933
atoms_sites: ["O", "H1", "H2"]
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pub_title:
 No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction
 Note: T = 100 K
 Note: known as ice-IH

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formula: O H2
compound: Synthetic
pub_title: Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa
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formula: O H2
compound: Synthetic
pub_title: Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb
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formula: O H2
compound: Synthetic
pub_title: Ice VII, the densest form of ice Note: T = 223 K, P = 2.5 GPa
formula_title: <missing>
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formula: (Bi.75 Pt.125 Pb.125) S.796 Se.026
compound: Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada
formula_title: <missing>
a: 5.86
b: 5.865
c: 5.86
alpha: 90
beta: 90
gamma: 90
cell_volume: 201.402
crystal_density: 7.737
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pub_title:
 Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen,
 Abitibi-Temiscaminque, Quebec, Canada

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formula: As3 (Al3.12 Fe.88) O18.9 H4 Ba.51
compound: Cap Garonne, France
pub_title: Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile
formula_title: <missing>
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formula: As3 (Al2.32 Fe1.68) O18 H4 Ba.51
compound: Mina Grande, Chile
pub_title: Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile
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formula: Pb3 Se O5
compound: Tsumeb, Namibia
pub_title: Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
formula_title: <missing>
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b: 10.7452
c: 5.7577
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formula: Ni3 Sn
compound: Jeffrey mine, Asbestos, Quebec, Canada
pub_title: Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec
formula_title: <missing>
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b: 3.7349
c: 3.7349
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formula: Ca Cu (P.5 As.5) O5 H
compound: Tsumeb, Namibia
formula_title: <missing>
a: 7.328
b: 9.123
c: 5.769
alpha: 90
beta: 90
gamma: 90
cell_volume: 385.677
crystal_density: 4.092
atoms_sites: ["Ca", "Cu", "P", "As", "O1", "O2", "O3", "O4", "O-H5"]
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pub_title:
 The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue
 of conichalcite, from Tsumeb, Namibia

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formula: C13
compound: Synthetic
pub_title: The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given
formula_title: <missing>
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b: 5.721
c: 18.97
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beta: 90
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crystal_density: 1.126
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formula: Pb3 Bi2 S6
compound: Tsubakihara mine, Gifu Prefecture, Japan
pub_title: The crystal structure of lillianite
formula_title: <missing>
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b: 20.451
c: 4.104
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beta: 90
gamma: 90
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pub_title:
 The crystal structure of clinochalcomenite
 Note: reported coordinates do not produce the reported bond lengths

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formula: Ca6.66 Al7 O16 Cl1.11
compound: Northwest Africa 1934 CV3 carbonaceous chondrite
pub_title: Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
formula_title: <missing>
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formula: Mn2 As O5 H
compound: Langban, Filipstad, Varmland, Sweden
pub_title: Redetermination of eveite, Mn2AsO4(OH), based on single-crystal X-ray diffraction data
formula_title: <missing>
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alpha: 90
beta: 90
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formula: Ni P
compound: Synthetic
formula_title: NiP
a: 6.0360
b: 4.8684
c: 6.8788
alpha: 90
beta: 90
gamma: 90
cell_volume: 202.138
crystal_density: 5.893
atoms_sites: ["Ni", "P"]
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pub_title:
 Pressure-induced development of bonding in NiAs type compounds and
 polymorphism of NiP
 Note: P = 1.29 GPa

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compound: Synthetic
formula_title: NiP
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pub_title:
 Pressure-induced development of bonding in NiAs type compounds and
 polymorphism of NiP
 Note: P = 5.79 GPa

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compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 104.631
gamma: 90
cell_volume: 306.626
crystal_density: 2.169
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 298 K

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compound: Synthetic
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cell_volume: 304.104
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 219 K

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formula: K H C O3
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 103.980
gamma: 90
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 95 K
 Note z-coordinate of O3 has been modified with a negative sign

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formula: K D C O3
compound: Synthetic
formula_title: <missing>
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alpha: 90
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
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 Note: T = 298 K

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formula: K D C O3
compound: Synthetic
formula_title: <missing>
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b: 5.6183
c: 3.6885
alpha: 90
beta: 104.297
gamma: 90
cell_volume: 304.633
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 219 K

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formula: K D C O3
compound: Synthetic
formula_title: <missing>
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c: 3.6644
alpha: 90
beta: 103.953
gamma: 90
cell_volume: 301.629
crystal_density: 2.227
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pub_title:
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 95 K

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formula: Fe4 O5
compound: Synthetic
pub_title: Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa
formula_title: Fe4O5
a: 2.8430
b: 9.700
c: 12.29
alpha: 90
beta: 90
gamma: 90
cell_volume: 338.923
crystal_density: 5.946
atoms_sites: ["Fe1", "Fe2", "Fe3", "O1", "O2", "O3"]
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formula: H Cl
compound: synthetic, note this is the deuterated structure
pub_title: Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K
formula_title: HCl
a: 5.053
b: 5.373
c: 5.825
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.147
crystal_density: 1.531
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formula: H Cl
compound: Synthetic
pub_title: Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K
formula_title: HCl
a: 5.482
b: 5.482
c: 5.482
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.747
crystal_density: 1.470
atoms_sites: ["H", "Cl"]
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formula: H Cl
compound: synthetic, note this is the deuterated structure
pub_title: Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K
formula_title: HCl
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b: 5.475
c: 5.475
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.117
crystal_density: 1.476
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qdat:
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formula: H12 Cl
compound: Synthetic
formula_title: HCl
a: 5.482
b: 5.482
c: 5.482
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.747
crystal_density: 1.917
atoms_sites: ["H", "Cl"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure and phase transition of hydrogen chloride
 Note: this phase is stable above 120 K
 Note: T = 135 K

qdat:
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formula: Ca Al F5
compound: Synthetic
formula_title: CaAlF5
a: 5.3361
b: 9.8298
c: 7.3271
alpha: 90
beta: 109.911
gamma: 90
cell_volume: 361.353
crystal_density: 2.979
atoms_sites: ["Ca", "Al", "F1", "F2", "F3", "F4", "F5"]
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atoms_y: IGgdAGBFDwCAQSUAACsWANBPJgDAKREA8F0HAA==
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pub_title:
 Structural investigations of beta-CaAlF5 by coupling powder XRD,
 NMR, EPR and spectroscopic parameter calculations

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formula: (Y.4 Nd.15 Ce.15 Ca.15 Th.15) (V.92 As.08) O4
compound: Montaldo di Mondovi, Italy
pub_title: Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure
formula_title: <missing>
a: 7.2591
b: 7.2591
c: 6.4255
alpha: 90
beta: 90
gamma: 90
cell_volume: 338.589
crystal_density: 4.628
atoms_sites: ["YA", "NdA", "CeA", "CaA", "ThA", "VT", "AsT", "O"]
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compound: Terlano, Bolzano, Italy
pub_title: Dawsonite: new mineralogical data and structure refinement
formula_title: <missing>
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