# cif

formula: Cd2 P3 Cl
compound: <missing>
formula_title: Cd2 Cl P3
a: 7.969
b: 8.984
c: 7.554
alpha: 90
beta: 100.8
gamma: 90
cell_volume: 531.238
crystal_density: 4.416
atoms_sites: ["Cd1", "Cd2", "P1", "P2", "P3", "Cl1"]
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pub_title:
 Etudes structurales et optiques des phases du type Cd2 A3 X
 (A = As, P; X = Cl, Br, I) et de leur solution solide
 _cod_database_code 1001297

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formula: N H4 Al F4
compound: <missing>
formula_title: NH4AlF4
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b: 5.0875
c: 12.7319
alpha: 90
beta: 90
gamma: 90
cell_volume: 329.535
crystal_density: 2.439
atoms_sites: ["N1", "H1", "Al1", "F1", "F2"]
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pub_title:
 NH4AlF4: Determination of the Ordered and Disordered Structures by
 Neutron Powder Profile Refinement
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formula: N H4 Al F4
compound: <missing>
formula_title: NH4AlF4
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b: 5.0564
c: 12.7113
alpha: 90
beta: 90
gamma: 90
cell_volume: 324.992
crystal_density: 2.473
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pub_title:
 NH4AlF4: Determination of the Ordered and Disordered Structures by
 Neutron Powder Profile Refinement
 _cod_database_code 1000183

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formula: Na.545 Bi1.255 O3.43
compound: <missing>
formula_title: Bi2.51 H1.3 Na1.09 O6.86
a: 10.94
b: 10.94
c: 10.94
alpha: 90
beta: 90
gamma: 90
cell_volume: 1309.339
crystal_density: 6.690
atoms_sites: ["Na1", "Bi1", "Bi2", "Bi3", "O1", "O2", "O3"]
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pub_title:
 Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O
 _cod_database_code 1004128

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formula: K Bi O3
compound: <missing>
formula_title: Bi H0.5 K O3.25
a: 10.035
b: 10.035
c: 10.035
alpha: 90
beta: 90
gamma: 90
cell_volume: 1010.537
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pub_title:
 Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O
 _cod_database_code 1004129

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formula: N4 Si3
compound: <missing>
formula_title: <missing>
a: 7.7523
b: 7.7523
c: 5.6198
alpha: 90
beta: 90
gamma: 120
cell_volume: 292.491
crystal_density: 3.186
atoms_sites: ["N1", "N2", "N3", "N4", "Si1", "Si2"]
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
 _cod_database_code 1001238

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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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b: 7.7660
c: 5.6297
alpha: 90
beta: 90
gamma: 120
cell_volume: 294.043
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
 _cod_database_code 1001239

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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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c: 5.6318
alpha: 90
beta: 90
gamma: 120
cell_volume: 294.425
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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b: 7.7809
c: 5.6407
alpha: 90
beta: 90
gamma: 120
cell_volume: 295.749
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
compound: <missing>
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
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alpha: 90
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: N4 Si3
compound: <missing>
formula_title: <missing>
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c: 2.9220
alpha: 90
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pub_title:
 Modifications structurales du nitrure de silicium en fonction de la
 temperature
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formula: Zr3 Ge O8
compound: <missing>
formula_title: Ge O8 Zr3
a: 5.005
b: 5.005
c: 10.452
alpha: 90
beta: 90
gamma: 90
cell_volume: 261.823
crystal_density: 6.016
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pub_title:
 Neutron Diffraction Determination of the Structure of an Ordered
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formula: Mn2 O5
compound: <missing>
formula_title: Mn2 O5 Sr2
a: 5.523
b: 10.761
c: 3.811
alpha: 90
beta: 90
gamma: 90
cell_volume: 226.499
crystal_density: 2.784
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pub_title:
 Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square
 pyramidal coordination
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formula: La2 Ni O4
compound: <missing>
pub_title: Structural characterization of an orthorhombic form of La Ni O4 _cod_database_code 1000414
formula_title: La2 Ni O4
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formula: Li (Nb W) O6
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formula: (Nb.6 W.4) O3
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formula_title: H0.6 Nb0.6 O3 W0.4
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b: 7.5875
c: 7.5875
alpha: 90
beta: 90
gamma: 90
cell_volume: 436.814
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pub_title:
 Li/H topotactic exchange on beta-Li(1-x) Nb(1-x) Wx O3 (O <= x <= 0.5):
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formula: Li Sb O3
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alpha: 90
beta: 90
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pub_title:
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alpha: 90
beta: 90
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pub_title:
 Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1).
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beta: 90.8
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pub_title:
 Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1).
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 High temperature crystal structures of orthorhombic and rhombohedral
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 Synthesis and characterization of cubic pyrochlore-type rubidium and
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pub_title:
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pub_title:
 X-ray powder diffraction study of francolite by the Rietveld method
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pub_title:
 X-ray powder diffraction study of francolite by the Rietveld method
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 X-ray powder diffraction study of francolite by the Rietveld method
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pub_title:
 Hydrothermal synthesis and structural characterization of the
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 Hydrothermal synthesis and structural characterization of the
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formula: As2 S3
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pub_title: The crystal structure of orpiment (As2S3) refined
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formula: Bi4 S3
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pub_title: Ikunolite, a new bismuth mineral from the Ikuno mine, Japan
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compound: Nodatamagawa manganese mine, Iwate, Japan
pub_title: The structure of haradaite and a note on the Si-O bond lengths in silicates
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compound: Dover Andalusite Mine, Nevada, USA
pub_title: The crystal structure of jarosite and svanbergite
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compound: Meadow Valley 1, Pinoche, Nevada, USA
pub_title: The crystal structure of jarosite and svanbergite
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formula: K Al Si O4
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pub_title: The refinement of the structure of synthetic kalsilite
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formula: K Al Si O4
compound: <missing>
formula_title: <missing>
a: 5.30
b: 5.30
c: 8.65
alpha: 90
beta: 90
gamma: 120
cell_volume: 210.426
crystal_density: 2.496
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pub_title:
 The crystal structure of high temperature form of kalsilite (KAlSiO4) at 950 C
 Note: B(1,2)'s corrected to obey symmetry restrictions
 Note: Synthetic sample
 Note: x(O1) adjusted to match reported bond lengths

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formula: Sr Al3 P2 O14 H7
compound: Palermo mine, North Groton, New Hampshire, USA
pub_title: Further refinement of the goyazite structure
formula_title: <missing>
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formula: Ca2 (Mg.554 Fe.446) Si2 O7
compound: <missing>
formula_title: <missing>
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b: 7.8679
c: 5.0144
alpha: 90
beta: 90
gamma: 90
cell_volume: 310.411
crystal_density: 3.067
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pub_title:
 On variety of the Ca coordination in the incommensurate structure of
 synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7
 Note: Sample is synthetic, this is the structure obtained from a standard refinement

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compound: <missing>
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pub_title:
 On variety of the Ca coordination in the incommensurate structure of
 synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7
 Note: Sample is synthetic, this is the structure obtained by refining the incommensurate
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formula: Pb F Cl
compound: Matlock, Derbyshire, England
pub_title: The crystal-structure and optical properties of matlockite (PbFCl)
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formula: Bi O Cl
compound: Synthetic
pub_title: The crystal-structure of the bismuth oxyhalides
formula_title: <missing>
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b: 3.89
c: 7.37
alpha: 90
beta: 90
gamma: 90
cell_volume: 111.524
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formula: Bi O Br
compound: Synthetic
pub_title: The crystal-structure of the bismuth oxyhalides
formula_title: BiOBr
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b: 3.92
c: 8.11
alpha: 90
beta: 90
gamma: 90
cell_volume: 124.622
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formula: Bi O I
compound: Synthetic
pub_title: The crystal-structure of the bismuth oxyhalides
formula_title: BiOI
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b: 4.01
c: 9.14
alpha: 90
beta: 90
gamma: 90
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formula: Al Mg B O4
compound: Sri Lanka
pub_title: The crystal structure of sinhalite
formula_title: <missing>
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b: 5.675
c: 4.328
alpha: 90
beta: 90
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formula: K Al Si O4
compound: Mt. Nyiragongo, Congo
pub_title: The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 on triad axis
formula_title: <missing>
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b: 5.161
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formula: K Al Si O4
compound: Mt. Nyiragongo, Congo
pub_title: The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 off triad axis
formula_title: <missing>
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formula: Ni S1.18 As.82
compound: Wolfsberg, Harz, Germany
pub_title: The crystal structure of gersdorffite
formula_title: <missing>
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b: 5.6885
c: 5.6885
alpha: 90
beta: 90
gamma: 90
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formula: (Mg.75 Fe.25) C.125 O2.875 H3
compound: Sweden
pub_title: The crystal structures of sjoegrenite and pyroaurite
formula_title: <missing>
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b: 3.13
c: 15.66
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beta: 90
gamma: 120
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formula: (Mg.75 Fe.25) C.125 O2.875 H3
compound: Sweden
pub_title: The crystal structures of sjoegrenite and pyroaurite
formula_title: <missing>
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b: 3.13
c: 23.49
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beta: 90
gamma: 120
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formula: Co O2 H
compound: Mindigi, Shaba, Zaire
pub_title: Polytypism of heterogenite Note: polytype known as Heterogenite-2H
formula_title: <missing>
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b: 2.855
c: 8.805
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beta: 90
gamma: 120
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formula: Pb3 Cu O4 Cl2 H2
compound: Mendip Hills, Somerset, England
pub_title: The structure of chloroxiphite, Pb3CuO2(OH)2Cl2
formula_title: <missing>
a: 10.458
b: 5.750
c: 6.693
alpha: 90
beta: 97.79
gamma: 90
cell_volume: 398.759
crystal_density: 6.847
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formula: Mn2 Fe P2 O11 H6
compound: <missing>
pub_title: Nomenclature of the phosphoferrite structure type: refinements of landesite and kryzhanovskite
formula_title: <missing>
a: 9.458
b: 10.185
c: 8.543
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.307
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formula: Fe Ni3
compound: Sakhakot-Qila complex, Malakand-Agency, Pakistan
formula_title: <missing>
a: 3.545
b: 3.545
c: 3.545
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.550
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pub_title:
 Awaruite, iridian awaruite, and a new Ru-Os-Ir-Ni-Fe alloy
 from the Sakhakot-Qila complex, Malakand-Agency, Pakistan

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formula: Na (Al Si) O4
compound: <missing>
formula_title: NaAlSiO4
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beta: 90
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pub_title:
 Crystal-chemical characterization of NaAlSiO4 with the CaFe2O4 structure
 Note: z-coordinate of O4 altered to reproduce bond lengths

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formula: Cu2 Cl O3 H3
compound: Botallack mine, Cornwall, England
pub_title: Refinement of the crystal structure of botallackite
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formula: Ca Zn2 Si2 O8 H2
compound: Christmas mine, Gile County, Arizona, USA
pub_title: The structure of junitoite, CaZn2Si2O7*H2O
formula_title: <missing>
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formula: Cu5.82 Zn.42 Ag4.2 Fe1.56 (Sb3.88 As.12) S13
compound: Keno Hill, Yukon, Canada
pub_title: Crystal structure and cation distribution in freibergite and tetrahedrite
formula_title: <missing>
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c: 10.610
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formula: Zn2 Se Cl2 O3
compound: Tolbachik Main Fracture Eruption, Kamchatka, Russia
formula_title: <missing>
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beta: 90
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pub_title:
 Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral
 Note: y(Zn2) corrected

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formula: Bi2 W O6
compound: Synthetic
formula_title: <missing>
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b: 16.43018
c: 5.45842
alpha: 90
beta: 90
gamma: 90
cell_volume: 487.629
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pub_title:
 The crystal structure of russellite; a re-determination
 using neutron powder diffraction of synthetic Bi2WO6

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formula: Ca3 As6 Ti Si2 Be2 O20
compound: <missing>
pub_title: Asbecasite: crystal structure refinement and crystal chemistry
formula_title: <missing>
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formula: Pb Cl O H
compound: <missing>
pub_title: Crystal structure of paralaurionite and its OD relationships with laurionite
formula_title: <missing>
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formula: (Mg.75 Fe.25) O2.5 H3 Cl.25
compound: Palabora open pit mine, Phalaborwa, Transvaal
pub_title: Iowaite, a re-investigation
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b: 3.1183
c: 24.113
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beta: 90
gamma: 120
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formula: Sr3 Ce P C3 O13
compound: Nkombwa Hill carbonatite, Zambia
formula_title: <missing>
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b: 10.073
c: 9.234
alpha: 90
beta: 90
gamma: 120
cell_volume: 811.406
crystal_density: 4.162
atoms_sites: ["Sr", "Ce", "P", "C", "O1", "O2", "O3", "O4"]
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pub_title:
 A high-precision crystal structure refinement of daqingshanite-(Ce)
 from Nkombwa Hill carbonatite, Zambia

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formula: Al Ca2 S2 F2 Cl O12 H8
compound: Tolbachik Main Fracture Eruption, Kamchatka, Russia
pub_title: The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O
formula_title: <missing>
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formula: Pb2 Cl3 (O H)
compound: Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy
pub_title: X-ray and electron diffraction study of penfieldite: average structure and multiple cells
formula_title: <missing>
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b: 11.393
c: 4.024
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gamma: 120
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formula: Fe S
compound: Synthetic
pub_title: Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS
formula_title: <missing>
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b: 3.6735
c: 5.0328
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beta: 90
gamma: 90
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formula: Pb F Cl
compound: Baratti beach, Tuscany, Italy
pub_title: Crystal structure refinement of matlockite
formula_title: <missing>
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b: 4.110
c: 7.246
alpha: 90
beta: 90
gamma: 90
cell_volume: 122.400
crystal_density: 7.099
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formula: Cu Bi S2
compound: <missing>
formula_title: <missing>
a: 6.1413
b: 3.9191
c: 14.524
alpha: 90
beta: 90
gamma: 90
cell_volume: 349.569
crystal_density: 6.397
atoms_sites: ["Cu", "Bi", "S1", "S2"]
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pub_title:
 The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
 Note: synthetic

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formula: Cu Sb S2
compound: <missing>
formula_title: <missing>
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b: 3.7968
c: 14.499
alpha: 90
beta: 90
gamma: 90
cell_volume: 331.180
crystal_density: 5.003
atoms_sites: ["Cu", "Sb", "S1", "S2"]
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pub_title:
 The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
 Note: synthetic

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formula: Pb Fe3 (P1.46 As.32 S.22) O14 H6
compound: Kintore opencut, Broken Hill, New South Wales, Australia
formula_title: <missing>
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b: 7.3310
c: 16.885
alpha: 90
beta: 90
gamma: 120
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crystal_density: 4.316
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pub_title:
 The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6
 Note: occupancy of P and As are switched from the reported values

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formula: (Sr.87 Ba.13) S O4
compound: filling cavities of volcanoclastic rocks, Montecchio Maggiore, Vicenza, Italy
pub_title: Ba-rich celestine: new data and crystal structure refinement
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formula: Ag Sb S2
compound: <missing>
pub_title: Crystal structure refinement of miargyrite, AgSbS2
formula_title: <missing>
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b: 4.4060
c: 13.193
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gamma: 90
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formula: As Zn Ca O5 H
compound: Sonora, Mexico
pub_title: Crystal structure of austinite, CaZn(AsO4)OH
formula_title: <missing>
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b: 9.0438
c: 5.9343
alpha: 90
beta: 90
gamma: 90
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formula: Pb Fe2 As2 O10 H2
compound: Broken Hill, New South Wales, Australia, type specimen
pub_title: The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
formula_title: <missing>
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c: 7.564
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beta: 114.857
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formula: Pb Cu As O5 H
compound: <missing>
formula_title: <missing>
a: 7.768
b: 9.211
c: 5.999
alpha: 90
beta: 90
gamma: 90
cell_volume: 429.235
crystal_density: 6.603
atoms_sites: ["Pb", "Cu", "As", "O2", "O3", "O4", "O5", "O-H1"]
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pub_title:
 The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
 Note: sample is synthetic

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formula: Ba (Fe2.52 Sb.48) As2 O14 H7
compound: Clara mine, Black Forest, Germany
pub_title: The structure of antimonian dussertite and the role of antimony in oxysalt minerals
formula_title: <missing>
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c: 17.4840
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beta: 90
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formula: Pb Cr O4
compound: Dundas, Tasmania
formula_title: <missing>
a: 8.79861
b: 5.73422
c: 7.27402
alpha: 90
beta: 90
gamma: 90
cell_volume: 366.997
crystal_density: 5.849
atoms_sites: ["Pb", "Cr", "O1", "O2", "O3"]
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pub_title:
 A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K:
 crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K
 Sample: the high temperature form at T = 1073 K

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formula: Si O2
compound: Synthetic
formula_title: <missing>
a: 8.3780
b: 4.6018
c: 9.0568
alpha: 90
beta: 124.949
gamma: 90
cell_volume: 286.205
crystal_density: 2.789
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4"]
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pub_title:
 Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
 Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis

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formula: Si O2
compound: Synthetic
formula_title: <missing>
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b: 4.6020
c: 9.0583
alpha: 90
beta: 124.939
gamma: 90
cell_volume: 286.263
crystal_density: 2.788
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4"]
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pub_title:
 Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
 Note: P = 3.5 GPa, refinement by constrained Rietveld analysis

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formula: Pb5 (Si1.5 S1.5) O12.43 (Cl.57 H.43)
compound: Leadhills, Scotland
pub_title: Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure
formula_title: <missing>
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b: 10.0056
c: 7.4960
alpha: 90
beta: 90
gamma: 120
cell_volume: 649.900
crystal_density: 6.877
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formula: Pb2 C O4
compound: Synthetic
formula_title: <missing>
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b: 9.014
c: 9.315
alpha: 90
beta: 90
gamma: 90
cell_volume: 432.128
crystal_density: 7.538
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pub_title:
 Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic
 shannonite, Pb2O(CO3)

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compound: Synthetic
formula_title: NaPb2(OH)(CO3)2
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b: 5.276
c: 13.474
alpha: 90
beta: 90
gamma: 120
cell_volume: 324.815
crystal_density: 5.873
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pub_title:
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2

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formula: Ge Fe2 O4
compound: Tsumeb, Namibia
pub_title: The crystal structure of brunogeierite, Fe2GeO4 spinel
formula_title: <missing>
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b: 8.4127
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formula: Pb7.818 Ca.182 Mn Si6 O21
compound: Garpenberg Nora mine, Dalarna, Sweden
pub_title: Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement
formula_title: <missing>
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b: 9.804
c: 38.416
alpha: 90
beta: 90
gamma: 120
cell_volume: 3197.785
crystal_density: 6.813
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formula: (Fe.47 Sb.53) O2
compound: Tripuhy, Minas Gerais, Brazil
pub_title: Tripuhyte, FeSbO4, revisited
formula_title: <missing>
a: 4.625
b: 4.625
c: 3.059
alpha: 90
beta: 90
gamma: 90
cell_volume: 65.434
crystal_density: 6.231
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formula: (Fe.53 Sb.47) O2
compound: Falotta, Grisons, Switzerland
pub_title: Tripuhyte, FeSbO4, revisited
formula_title: <missing>
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b: 4.6433
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alpha: 90
beta: 90
gamma: 90
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formula: Ni1.67 Fe1.33 P
compound: Synthetic
formula_title: <missing>
a: 9.0127
b: 9.0127
c: 4.4473
alpha: 90
beta: 90
gamma: 90
cell_volume: 361.249
crystal_density: 7.475
atoms_sites: ["NiMe2", "FeMe2", "NiMe3", "FeMe1", "P"]
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pub_title:
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Sample: P-44

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formula: Ni3 P
compound: Synthetic
formula_title: <missing>
a: 8.9499
b: 8.9499
c: 4.3850
alpha: 90
beta: 90
gamma: 90
cell_volume: 351.242
crystal_density: 7.831
atoms_sites: ["NiMe1", "NiMe2", "NiMe3", "P"]
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pub_title:
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Sample: P-33/3

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formula: Pb3.5 Si.5 O4 Cl
compound: Kombat mine, Namibia
formula_title: <missing>
a: 3.8932
b: 3.8932
c: 22.803
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.625
crystal_density: 8.059
atoms_sites: ["Pb1", "Pb2", "Si2", "O", "Cl"]
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pub_title:
 Pb-Si ordering in sheet-oxychloride minerals: the super-structure of asisite,
 nominally Pb7SiO8Cl2

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formula: Zn Cu3 O6 Cl2 H6
compound: Mina Los Tres Presidentes, Sierra Gorda, Chile
formula_title: <missing>
a: 6.834
b: 6.834
c: 14.075
alpha: 90
beta: 90
gamma: 120
cell_volume: 569.284
crystal_density: 3.754
atoms_sites: ["Zn", "Cu2", "O", "Cl", "H"]
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pub_title:
 Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite
 Note: structure was sent to us from Kurt Mereiter by email

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formula: Cu3 Zn Cl2.18 O5.82 H5.82
compound: Lavrion, Greece
pub_title: Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its crystal structure
formula_title: <missing>
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b: 6.300
c: 5.733
alpha: 90
beta: 90
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cell_volume: 197.058
crystal_density: 3.643
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formula: N Fe3 S2 O14 H10
compound: Synthetic
formula_title: <missing>
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b: 7.3177
c: 17.534
alpha: 90
beta: 90
gamma: 120
cell_volume: 813.132
crystal_density: 2.939
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pub_title:
 The crystal structure of ammoniojarosite, (NH4)Fe3(SO4)2(OH)6 and the crystal chemistry
 of the ammoniojarosite-hydronium jarosite solid-solution series

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formula: Pb Te Cu3 (O8 H2)
compound: the Empire mine, Tombstone, Arizona, USA
pub_title: The crystal structure of khinite and polytypism in khinite and parakhinite
formula_title: <missing>
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b: 10.0176
c: 24.022
alpha: 90
beta: 90
gamma: 90
cell_volume: 1383.479
crystal_density: 6.294
atoms_sites: ["Pb", "Te", "Cu(1)", "Cu(2)", "Cu(3)", "O-H(1)", "O(2)", "O(3)", "O(4)"]
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formula: Pb Te Cu3 (O8 H2)
compound: the Empire mine, Tombstone, Arizona, USA
formula_title: <missing>
a: 5.7491
b: 10.0176
c: 24.022
alpha: 90
beta: 90
gamma: 90
cell_volume: 1383.479
crystal_density: 6.294
atoms_sites: ["Pb", "Te", "Cu(1)", "Cu(2)", "Cu(3)", "O-H(1)", "O(2)", "O(3)", "O(4)"]
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atoms_occupancy: 0
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pub_title:
 The crystal structure of khinite and polytypism in khinite and parakhinite
 Note: This is the original khinite, now distinguished as the -4O polytype

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formula: Sb Ag5 S4
compound: Freiberg District, Saxony, Germany
formula_title: <missing>
a: 7.8329
b: 12.458
c: 8.5272
alpha: 90
beta: 90
gamma: 90
cell_volume: 832.104
crystal_density: 6.301
atoms_sites: ["Sb", "Ag1", "Ag2", "Ag3", "S1", "S2", "S3"]
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atoms_aniso_label: ["Sb", "Ag1", "Ag2", "Ag3", "S1", "S2", "S3"]
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pub_title:
 Preferred ion diffusion pathways and activation energies for Ag in the
 crystal structure of stephanite, Ag5SbS4
 Note: y-coordinate of Sb altered by Bindi, June 2009

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formula: Mn5 Si3
compound: Chatkal Ridge, Uzbekistan
pub_title: Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan
formula_title: <missing>
a: 6.8971
b: 6.8971
c: 4.8075
alpha: 90
beta: 90
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pub_title: The structure of H3O+ - exchanged pharmacosiderite
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pub_title: The structure of H3O+ - exchanged pharmacosiderite
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pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 1
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pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 2
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pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 3
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compound: <missing>
pub_title: Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 4
formula_title: <missing>
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formula: Pb Cu S O6 H2
compound: Leadhills, Scotland
formula_title: <missing>
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pub_title:
 Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
 with a comparison to linarite PbCu(OH)2(SO4)

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formula: Ca3 Te2 Zn3 O12
compound: Aldan, USSR
pub_title: Yafsoanite: a garnet type calcium-tellurium(VI)-zinc oxide
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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.0

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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.33

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pub_title:
 Copper-substituted manganese-denningites,
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 Sample: x = 0.48

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compound: Synthetic
formula_title: <missing>
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b: 8.729
c: 12.820
alpha: 90
beta: 90
gamma: 90
cell_volume: 976.826
crystal_density: 5.352
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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.80

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compound: Synthetic
formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.99

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formula: Ca3 S3 O22 H24
compound: Hannebacher Ley, Hannebach, Eifel, Germany
pub_title: Orschallite, Ca3(SO3)2SO4*12H2O, a new calcium-sulfite-sulfate-hydrate mineral
formula_title: <missing>
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formula: Na Fe Se2 O8
compound: Synthetic
pub_title: Crystal structure of the yavapaiite type compound NaFe[SeO4]2
formula_title: NaFe[SeO4]2
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formula: (Bi Pb) Fe P O7 H
compound: Schneeberg, Germany
formula_title: <missing>
a: 12.278
b: 3.815
c: 6.899
alpha: 90
beta: 111.14
gamma: 90
cell_volume: 301.406
crystal_density: 6.788
atoms_sites: ["Bi", "Pb", "Fe", "P", "Oo", "O-H", "Op1", "Op2"]
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pub_title:
 Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from
 Schneeberg, Germany: description and crystal structure

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formula: Fe Sb Bi S4
compound: Caspari mine, North Rhine-Westphalia, Germany
formula_title: <missing>
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b: 14.164
c: 3.759
alpha: 90
beta: 90
gamma: 90
cell_volume: 607.656
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pub_title:
 Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany:
 composition, physical properties and determination of the crystal structure

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formula: Fe.55 Cu1.45 As O5
compound: Black Pine mine, Montana, USA
formula_title: <missing>
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b: 8.2757
c: 5.9501
alpha: 90
beta: 90
gamma: 90
cell_volume: 424.632
crystal_density: 4.345
atoms_sites: ["FeM", "CuM", "Cu", "As", "O1A", "O1B", "O2", "O3", "O4"]
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pub_title:
 Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group,
 from the Black Pine mine, Montana, USA

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formula: Ag3 As S3
compound: Synthetic
formula_title: <missing>
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b: 6.262
c: 17.08
alpha: 90
beta: 110.9
gamma: 90
cell_volume: 1201.012
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pub_title:
 Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen
 Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie

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formula: Bi2 Sr2 Cu2 Ca O8
compound: <missing>
pub_title: Electron microscopy study of the superconductor "Bi2Sr2CaCu2O8" _cod_database_code 1000285
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formula: (Tl1.93 Ca1.07) Ba2 Cu2 O8
compound: <missing>
pub_title: Tl2Ba2CaCu2O8: structure and superconductivity _cod_database_code 1001420
formula_title: Ba2 Ca1.07 Cu2 O8 Tl1.93
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gamma: 90
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formula: Br
compound: Synthetic
formula_title: <missing>
a: 6.5672
b: 4.4678
c: 8.6938
alpha: 90
beta: 90
gamma: 90
cell_volume: 255.084
crystal_density: 4.161
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 5 K

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formula_title: <missing>
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 80 K

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formula: Br
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alpha: 90
beta: 90
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cell_volume: 263.949
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 170 K

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formula: Br
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 271.906
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine
 Sample: at T = 250 K

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pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 22 K

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formula: Cl
compound: Synthetic
formula_title: <missing>
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beta: 90
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 55 K

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formula: Cl
compound: Synthetic
formula_title: <missing>
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b: 4.4561
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 100 K

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formula: Cl
compound: Synthetic
formula_title: <missing>
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b: 4.5361
c: 8.1617
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 160 K

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formula: As2 O3
compound: Synthetic
pub_title: Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)
formula_title: <missing>
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formula: As2 O3
compound: <missing>
pub_title: Verfeinerung der kristallstruktur des minerals claudetit
formula_title: <missing>
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b: 12.99
c: 4.53
alpha: 90
beta: 93.88
gamma: 90
cell_volume: 308.227
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formula: Ca C O4 H2
compound: <missing>
formula_title: <missing>
a: 6.0931
b: 6.0931
c: 7.5446
alpha: 90
beta: 90
gamma: 120
cell_volume: 242.574
crystal_density: 2.425
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pub_title:
 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
 monohydrocalcit, CaCO3*H2O
 Substructure

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formula: Cu2 S O5
compound: Synthetic
formula_title: <missing>
a: 9.370
b: 6.319
c: 7.639
alpha: 90
beta: 122.34
gamma: 90
cell_volume: 382.141
crystal_density: 4.157
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pub_title:
 Cu2O(SO4), dolerophanite: Refinement of the crystal structure with
 a comparison of [OCu(II)4] tetrahedra in inorganic compounds

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formula: Cr
compound: Synthetic
pub_title: Allotropy of chromium
formula_title: <missing>
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formula: Fe5 Si3
compound: <missing>
pub_title: Structure of the eta phase of the iron-silicon system
formula_title: <missing>
a: 6.7416
b: 6.7416
c: 4.7079
alpha: 90
beta: 90
gamma: 120
cell_volume: 185.304
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formula: Ca3 Al S1.5 O24.5 H31
compound: Scawt Hill, Northern Ireland
pub_title: Crystal structure of ettringite
formula_title: <missing>
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b: 11.23
c: 10.72
alpha: 90
beta: 90
gamma: 120
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formula: C
compound: undefined
pub_title: Structure of graphite by neutron diffraction Note: natural crystals
formula_title: <missing>
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b: 2.464
c: 6.711
alpha: 90
beta: 90
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formula: Si Mg O3
compound: <missing>
pub_title: Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa
formula_title: <missing>
a: 9.201
b: 8.621
c: 4.908
alpha: 90
beta: 101.50
gamma: 90
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formula: B7
compound: <missing>
pub_title: Ionic high-pressure form of elemental boron Note: theoretical calculation
formula_title: <missing>
a: 5.054
b: 5.620
c: 6.987
alpha: 90
beta: 90
gamma: 90
cell_volume: 198.455
crystal_density: 2.533
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formula: Ca Al B3 O7
compound: Johachido, North Korea
pub_title: Johachidolite, CaAl[B3O7], a borate with very dense atomic structure
formula_title: <missing>
a: 7.970
b: 11.722
c: 4.374
alpha: 90
beta: 90
gamma: 90
cell_volume: 408.638
crystal_density: 3.438
atoms_sites: ["Ca", "Al", "B1", "B2", "O1", "O2", "O3"]
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formula: Bi2 Te3
compound: Synthetic
pub_title: Ein vergleich zwischen Bi2Te3 und Bi2Te2S
formula_title: <missing>
a: 10.45
b: 10.45
c: 10.45
alpha: 24.13
beta: 24.13
gamma: 24.13
cell_volume: 167.605
crystal_density: 7.933
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formula: Bi2 Te2 S
compound: <missing>
pub_title: Ein Vergleich zwischen Bi2Te3 und Bi2Te2S
formula_title: <missing>
a: 10.31
b: 10.31
c: 10.31
alpha: 24.17
beta: 24.17
gamma: 24.17
cell_volume: 161.468
crystal_density: 7.253
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formula: V S4
compound: Minasraga, Peru
pub_title: Die kristallstruktur des patronits V(S2)2 Note: typo fixed S2(y)
formula_title: <missing>
a: 6.78
b: 10.42
c: 12.11
alpha: 90
beta: 100.8
gamma: 90
cell_volume: 840.388
crystal_density: 2.833
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formula: Ba Mg C2 O6
compound: <missing>
pub_title: Die kristallstruktur des norsethit, BaMg(CO3)2, im vergleich zum dolomit, CaMg(CO3)2
formula_title: <missing>
a: 5.017
b: 5.017
c: 16.77
alpha: 90
beta: 90
gamma: 120
cell_volume: 365.554
crystal_density: 3.838
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formula: Be2 B O5 H3
compound: Synthetic
pub_title: Synthese und strukturtyp des berylliumborates Be2BO3(OH)*H2O
formula_title: <missing>
a: 4.43
b: 4.43
c: 5.34
alpha: 90
beta: 90
gamma: 120
cell_volume: 90.757
crystal_density: 2.047
atoms_sites: ["Be", "B", "O", "O-H", "Wat"]
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pub_title:
 Die kristallstruktur von fleischerite, Pb3Ge[(OH)6|(SO4)2]*3H2O sowie
 kristallchemische untersuchungen an isotypen verbindungen

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pub_title:
 Chemistry and crystallography of the lillianite homologous series
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formula: Tl As S2
compound: Crven Dol, Allchar, Republic of Macedonia
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pub_title:
 Contributions to the crystal chemistry of thallium sulphosalts III.
 The crystal structure of lorandite (TlAsS2) and its relation to
 weissbergite (TlSbS2)

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compound: Radvanice near Trutnov, Czech Republic
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formula: (Ce.91 Y.09) Si O4
compound: Stetind pegmatite, Tysfjord, Norway
pub_title: The new mineral stetindite, CeSiO4, a cerium end-member of the zircon group
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formula: Ag3 Sb S3
compound: <missing>
pub_title: Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3
formula_title: <missing>
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formula: Mg O2 H2
compound: <missing>
pub_title: Neutronenbeugungsmessungen am Brucit _cod_database_code 1000054
formula_title: <missing>
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formula: Na3 Pb2 S3 O12 Cl
compound: <missing>
pub_title: Caracolit, das Na3Pb2(SO4)3Cl mit apatitstruktur
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formula: Ag3 Sb S3
compound: St. Andreasberg, Harz Mountains, Germany
pub_title: Die struktur des pyrostilpnits (feuerblende) Ag3SbS3
formula_title: <missing>
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formula: Ca3 B2 O6
compound: Synthetic
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formula: (Mg.667 Al.333) O3 H3 C.167
compound: Vezna, Western Moravia
pub_title: Die struktur des hydrotalkits
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formula: Ca6 Al7 O16.498
compound: Synthetic
pub_title: Zur struktur des 12CaO*7Al2O3
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formula: Ca Al3 (P S) O14 H6
compound: Andalusite mine, Mono Co., California, USA
pub_title: The crystal structures of goyazite and woodhousite
formula_title: <missing>
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formula: Sr Al3 P2 O14 H7.02
compound: Palermo mine, North Groton, New Hampshire, USA
pub_title: The crystal structures of goyazite and woodhousite
formula_title: <missing>
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formula: Ca B2 O10 H12
compound: <missing>
pub_title: A structure proposal for the phase beta-CaB2O4*6H2O
formula_title: CaB2O4(H2O)6
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formula: Cu3 (As.85 Sb.15) S3
compound: <missing>
pub_title: Uber pearceit, polybasit und binnit
formula_title: <missing>
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c: 10.232
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formula: Pb Ag Sb3 S6
compound: <missing>
pub_title: Die kristallstruktur der pseudozelle (sub cell) von andorit VI (ramdohrit)
formula_title: <missing>
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b: 19.15
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formula: Ca.5 Zn P O5 H2
compound: Reaphook Hill, South Australia, Australia
pub_title: Scholzite and other phosphate minerals from Reaphook Hill, South Australia
formula_title: <missing>
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formula: (Hg4.56 Cu.72 Zn.72) Tl As4 S12
compound: Getchell mine, Humboldt County, Nevada, USA
pub_title: Die kristallstruktur von galchait [Hg0.76(Cu,Zn)0.24]12Tl0.96(AsS3)8
formula_title: <missing>
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formula: K Al3 S2 O14 H6
compound: Montioni, Toscana, Italy
formula_title: <missing>
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b: 7.020
c: 17.223
alpha: 90
beta: 90
gamma: 120
cell_volume: 735.044
crystal_density: 2.807
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pub_title:
 Crystal chemistry of the alunite series: crystal structure refinement of alunite
 and synthetic jarosite
 Note: none of the reported bond lengths can be reproduced

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pub_title:
 Crystal chemistry of the alunite series: crystal structure refinement of alunite
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 Note: none of the reported bond lengths can be reproduced

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pub_title:
 Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]-
 Note: z(Wat1) adjusted to match reported bond lengths

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formula: Fe Te2 O6 H
compound: Synthetic
pub_title: Verfeinerung der kristallstruktur von mackayite Fe(OH)[Te2O5]
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formula: Cs2 Pt Cl4
compound: <missing>
pub_title: Kristallstrukturuntersuchung an Cs2PtCl4
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formula: Rb2 Pt Br4 (O H2)
compound: <missing>
pub_title: Kristallstruktur von Rb2PtBr4*H2O
formula_title: Rb2PtBr4*H2O
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formula: Mn Al2 Si2 O10 H4
compound: Schlaggenwald, Bohemia
pub_title: Die kristallstruktur von karpholith (Mn0.97Mg0.08FeII0.07)(Al1.90FeIII0.01)Si2O6(OH)4
formula_title: <missing>
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formula: K2 Ca C2 O6
compound: <missing>
formula_title: <missing>
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b: 5.387
c: 18.16
alpha: 90
beta: 90
gamma: 120
cell_volume: 456.395
crystal_density: 2.601
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pub_title:
 Crystal structure refinements of buetschliite and eitelite:
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 Note: synthetic

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formula: Na2 Mg C2 O6
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
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pub_title:
 Crystal structure refinements of buetschliite and eitelite:
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 Note: synthetic

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formula: Ba Ca C2 O6
compound: Cave-in-Rock District, Illinois, USA
pub_title: Die kristallstruktur des minerals paralstonite, BaCa(CO3)2
formula_title: <missing>
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formula: Pb (Cu.99 Al1.62 Fe.39) S2 O14 H6
compound: Osarizawa mine, Akita Prefecture, Honshu, Japan
pub_title: The crystal structure of osarizawaite
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formula: Cu Sb.115 Sn.835
compound: Rio Tamana, Choco district, Colombia
pub_title: New data for stistaite and antimony-bearing n-Cu6Sn5 from Rio Tamana, Colombia
formula_title: <missing>
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b: 4.212
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formula: Bi V O4
compound: Hirschhorn, Pfalz, Germany
pub_title: Dreyerite: ein naturliches, tetragonales wismutvanadat von Hirschhorn/Pfalz
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formula: (Na.58 K.42) Al3 S2 O14 H6
compound: Sonomi-dake, Makurazaki-city, Kagoshima Prefecture, Japan
pub_title: Crystal structure of natroalunite and crystal chemistry of the alunite group
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gamma: 120
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formula: Ca3 Al2 Si1.527 O12 H5.892
compound: Crestmore, Riverside County, California, USA
pub_title: Crystal structure refinement of plazolite: a highly hydrated natural hydrogrossular
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formula: Ce.707 Cu6 As3 O21 H12
compound: Clara mine, Black Forest, Baden-Wurttemberg, Germany
pub_title: Die kristallstruktur des chlorotils, SECu6(AsO4)3(OH)6*3H2O (SE = seltene erdmetalle)
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formula: (Al1.548 Mg.452) Na.41 F4.578 O2.258 H3.094
compound: Ivigtut, Greenland
pub_title: Ralstonite: a contribution to the knowledge of composition and crystal structure
formula_title: <missing>
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b: 9.91
c: 9.91
alpha: 90
beta: 90
gamma: 90
cell_volume: 973.242
crystal_density: 2.572
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formula: Mn V O3.5
compound: <missing>
pub_title: Possible disorder in the thortveitite-type Mn2V2O7 structure Note: split atom model
formula_title: Mn2V2O7
a: 6.719
b: 8.719
c: 4.966
alpha: 90
beta: 103.60
gamma: 90
cell_volume: 282.766
crystal_density: 3.802
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formula: Mn2 V2 O7
compound: <missing>
pub_title: Possible disorder in the thortveitite-type Mn2V2O7 structure
formula_title: Mn2V2O7
a: 6.719
b: 8.719
c: 4.966
alpha: 90
beta: 103.60
gamma: 90
cell_volume: 282.766
crystal_density: 3.802
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formula: Cu3 Mo2 O10 H2
compound: Chuquicamata, Chile
pub_title: Refinement of the crystal structure of lindgrenite
formula_title: <missing>
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b: 14.023
c: 5.608
alpha: 90
beta: 98.50
gamma: 90
cell_volume: 419.530
crystal_density: 4.311
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formula: Ca Sn B2 O6
compound: Stiepelman mine, SW Africa
pub_title: The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
formula_title: <missing>
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b: 4.858
c: 16.0800
alpha: 90
beta: 90
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cell_volume: 328.648
crystal_density: 4.190
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formula: Ba (Sn.77 Ti.23) Si3 O9
compound: <missing>
formula_title: <missing>
a: 6.7037
b: 6.7037
c: 9.824
alpha: 90
beta: 90
gamma: 120
cell_volume: 382.339
crystal_density: 4.065
atoms_sites: ["Ba", "Sn", "Ti", "Si", "O1", "O2"]
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pub_title:
 The crystal chemistry of the benitoite group minerals and
 structural relations in (Si3O9) ring structures
 Sample: "occurs in small fractures and as scattered grains in
 recrystallized siliceous limestone at Santa Cruz, Ca"

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formula: Ba (Zr.97 Ti.03) Si3 O9
compound: <missing>
formula_title: <missing>
a: 6.742
b: 6.742
c: 9.930
alpha: 90
beta: 90
gamma: 120
cell_volume: 390.893
crystal_density: 3.870
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atoms_aniso_label: ["Ba", "Zr", "Ti", "Si", "O1", "O2"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAADQBwAA
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pub_title:
 The crystal chemistry of the benitoite group minerals and
 structural relations in (Si3O9) ring structures
 Sample: "late-stage interstitial mineral in aegirine-riebeckite granite",
 Rockall Island, Scotland

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formula: Pb Fe3 (S P) O14 H6
compound: Dernbach, Hessen-Nassau, Germany
formula_title: <missing>
a: 7.280
b: 7.280
c: 16.821
alpha: 90
beta: 90
gamma: 120
cell_volume: 772.050
crystal_density: 4.309
atoms_sites: ["Pb", "Fe", "S", "P", "O1", "O2", "O-h", "H"]
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atoms_aniso_label: ["Pb", "Fe", "S", "P", "O1", "O2", "O-h"]
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pub_title:
 Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered
 arrangement of the tetrahedral cations
 Note: this is not the prefered structure of these authors

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formula: (Ca2.268 Na.732) Mn2 (V2.925 As.075) O12
compound: Val Graveglia, Northern Apennines, Italy
formula_title: <missing>
a: 12.534
b: 12.534
c: 12.534
alpha: 90
beta: 90
gamma: 90
cell_volume: 1969.106
crystal_density: 3.806
atoms_sites: ["CaX", "NaX", "MnY", "VZ", "AsZ", "O"]
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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pub_title:
 The crystal structure of palenzonaite, a new vanadate garnet from
 Val Graveglia (Northern Apennines, Italy)

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formula: Ca1.255 Co.745 Si O4
compound: <missing>
formula_title: <missing>
a: 4.866
b: 11.150
c: 6.453
alpha: 90
beta: 90
gamma: 90
cell_volume: 350.113
crystal_density: 3.534
atoms_sites: ["Ca1", "Co1", "Ca2", "Si", "O1", "O2", "O3"]
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atoms_occupancy: YJAPAKB4LQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["Ca1", "Co1", "Ca2", "Si", "O1", "O2", "O3"]
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pub_title:
 The crystal structure of Co-monticellite Ca1.255Co0.745SiO4 and
 its significance as a solid solution crystal
 Note: sample is synthetic

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formula: Ag Fe2 S3
compound: Medenec, Krusne hory Mts, Czechoslovakia
pub_title: Crystal structure of sternbergite, AgFe2S3
formula_title: <missing>
a: 6.615
b: 11.639
c: 12.693
alpha: 90
beta: 90
gamma: 90
cell_volume: 977.259
crystal_density: 4.292
atoms_sites: ["Ag", "Fe", "S1", "S2"]
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formula: K2 Na Al F6
compound: Cetine mine, Tuscany, Italy
pub_title: Structure refinement of elpasolite from Cetine mine, Tuscany, Italy
formula_title: <missing>
a: 8.116
b: 8.116
c: 8.116
alpha: 90
beta: 90
gamma: 90
cell_volume: 534.597
crystal_density: 3.009
atoms_sites: ["K", "Na", "Al", "F"]
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formula: Ca Zn As O5 H
compound: Kamareza, Laurion, Greece
pub_title: The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Greece)
formula_title: <missing>
a: 7.505
b: 9.037
c: 5.921
alpha: 90
beta: 90
gamma: 90
cell_volume: 401.578
crystal_density: 4.324
atoms_sites: ["Ca", "Zn", "As", "O1", "O2", "O3", "O4", "O-h", "H"]
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formula: Pb (Fe.8 Mn.2) V O5 H
compound: Vrancice, Bohemian pluton, Pribram, Czechoslovakia (Czech Republic)
formula_title: <missing>
a: 7.605
b: 9.435
c: 6.099
alpha: 90
beta: 90
gamma: 90
cell_volume: 437.623
crystal_density: 5.992
atoms_sites: ["Pb", "Fe", "Mn", "V", "O1", "O2", "O3", "O-H"]
atoms_x: yPgHAICEHgCAhB4A8MY0AHBpNQBwbwIAkOYpADC3JwA=
atoms_y: cKMKAAAAAAAAAAAAsKMLAKDuEQCwMQUAYKAEANA6BAA=
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atoms_occupancy: AAk9AADUMAAANQwAAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Pb", "Fe", "Mn", "V", "O1", "O2", "O3", "O-H"]
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pub_title:
 The crystal structure of cechite, Pb(Fe,Mn)(VO4)(OH) with Fe>Mn. A mineral of the descloizite group

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formula: Cu2 V2 O7
compound: Synthetic
formula_title: <missing>
a: 7.6890
b: 8.0289
c: 10.1065
alpha: 90
beta: 110.252
gamma: 90
cell_volume: 585.346
crystal_density: 3.869
atoms_sites: ["Cu", "V", "O1", "O2", "O3", "O4"]
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pub_title:
 The crystal structure of ziesite, beta-Cu2V2O7, a thortveitite-type
 structure with a non-linear X-O-X inter-tetrahedral bond

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compound: Vigezzo Valley, Novara, Italy
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pub_title:
 The crystal structure of vigezzite, (Ca,Ce)(Nb,Ta,Ti)2O6,
 intermediate term of the aeschynite series

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formula_title: Na.5H.5AlSi206
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b: 5.150
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alpha: 90
beta: 90
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pub_title:
 Synthesis and structure of beta-quartz type
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 Sample: ref 2

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formula_title: <missing>
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pub_title:
 Synthesis and structure of beta-quartz type
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 Note: stuffed beta-quartz type structure

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pub_title:
 The crystal structures of kieserite-type compounds.
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pub_title:
 The crystal structures of kieserite-type compounds.
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pub_title:
 The crystal structures of kieserite-type compounds.
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formula: Pb Fe3 S2 O14 H6
compound: Grand Reef mine, Graham County, Arizona, USA
pub_title: On beaverite: new occurrence, chemical data and crystal structure
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pub_title:
 Huanghoite-(Ce), BaCe(CO3)2F, from Khibina, Kola peninsula, Russia:
 Redetermination of the crystal structure with a discussion on space group symmetry

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formula: Ca Mg As O4 F
compound: Nezilovo, Macedonia
pub_title: Centro-symmetric tilasite from Nezilovo, Macedonia: a crystal structure refinement
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formula: Ca (V.7 Ti.3) Si O5
compound: Gambatesa mine, Reppia, Val Graveglia, Northern Appenines, Italy
pub_title: Vanadomalayaite, CaVOSiO4, a new mineral vanadium analog of titanite and malayaite
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formula: (Sr.86 Ba.14) V Si2 O7
compound: Gambatesa mine, eastern Liguria, Italy
pub_title: Haradaite from the Gambatesa mine, eastern Liguria, Italy
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formula: Cu10.998 (Te2.5 Sb As.5) S11.98 Se.72
compound: Ozernoya deposit, Kamchatka, Russia
pub_title: Rietveld analysis of selenium-bearing goldfieldites
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formula: Cu10.2 (Te2.8 Sb.8 As.3 Bi.1) S11.53 Se.72
compound: Ozernoya deposit, Kamchatka, Russia
pub_title: Rietveld analysis of selenium-bearing goldfieldites
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formula: Cu10.002 (Te2.8 Sb.9 As.2 Bi.1) S11.7 Se.6
compound: Ozernoya deposit, Kamchatka, Russia
pub_title: Rietveld analysis of selenium-bearing goldfieldites
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formula: Cu10.302 (Te2.6 Sb.7 As.5 Bi.2) S11.85 Se.6
compound: Ozernoya deposit, Kamchatka, Russia
pub_title: Rietveld analysis of selenium-bearing goldfieldites
formula_title: <missing>
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formula: Cu2.875 (Te.675 Sb.225 As.1) (S2.79 Se.21)
compound: Ozernoya deposit, Kamchatka, Russia
pub_title: Rietveld analysis of selenium-bearing goldfieldites
formula_title: <missing>
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formula: Hg4 N2 S Cl O H2
compound: Terlingua, Brewster County, Texas, USA
formula_title: <missing>
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b: 6.762
c: 11.068
alpha: 90
beta: 90
gamma: 120
cell_volume: 438.278
crystal_density: 6.940
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pub_title:
 Kleinite from Terlingua, Brewster County, Texas: Investigations
 by single crystal X-ray diffraction, and vibrational spectroscopy
 Note: sample heated at T = 130 C for 1 day to transform crystal to hexagonal

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formula: (Na.699 Ca2.301) (Mg1.85 Mn.15) (V2.82 P.18) O12
compound: Bellberg volcano, Eifel, Germany
pub_title: Schaferite, a new vanadium garnet from the Bellberg volcano, Eifel, Germany
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formula: Pb Mo O4
compound: Monte Cengio, Vicenza, Italy
pub_title: Natural wulfenite: structural refinement by single-crystal X-ray diffraction
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b: 5.434
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formula: Ba (V1.71 Fe1.29) P2 O13.94 F.06 H7.74
compound: Spring Creek mine, South Australia
formula_title: <missing>
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beta: 90
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pub_title:
 Springcreekite, BaV(3+)3(PO4)2(OH,H2O)6, a new member of the crandallite group,
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formula: Ca Mg (V.75 As.25) (O5 H)
compound: Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany
pub_title: Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Germany
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formula: (Zn.625 Al.375) S.188 O2.686 H2.376
compound: Hilarion mine, Kamariza, near Laurion, Greece
formula_title: <missing>
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b: 3.063
c: 8.91
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beta: 90
gamma: 120
cell_volume: 72.394
crystal_density: 2.348
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pub_title:
 Zincowoodwardite, [Zn1-x Alx(OH)2][(SO4)x/2(H2O)n], a new mineral of the hydrotalcite group
 Note: polytype Zincowoodwardite-1T

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formula: (Zn.625 Al.375) S.188 O2.692 H2.376
compound: Hilarion mine, Kamariza, near Laurion, Greece
pub_title: Zincowoodwardite, [Zn1-x Alx(OH)2][(SO4)x/2(H2O)n], a new mineral of the hydrotalcite group
formula_title: <missing>
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formula: (Fe.61 Ni.36 Co.03) (As1.94 Sb.04 S.02)
compound: Haje, Pibram, Czech Republic
formula_title: <missing>
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b: 5.978
c: 2.9783
alpha: 90
beta: 90
gamma: 90
cell_volume: 93.348
crystal_density: 7.394
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pub_title:
 Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic.
 Rietveld crystal structure refinement

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formula: Fe As2
compound: Dolni Bory, Czech Republic
formula_title: <missing>
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b: 5.9631
c: 2.9007
alpha: 90
beta: 90
gamma: 90
cell_volume: 91.128
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pub_title:
 Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic.
 Rietveld crystal structure refinement

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formula: Ca2 Be Si2 O7
compound: skarn rocks in the Gugia alkaline complex, Liaoning Province, China
formula_title: <missing>
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b: 7.4330
c: 4.9970
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The crystal structure of natural gugiaite, Ca2BeSi2O7
 Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths

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formula: Na2 C O3
compound: Mt Koashva, Khibiny alkaline massif, Kola Peninsula, Russia
pub_title: Crystal structure of natrite, gamma-Na2CO3
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formula: Bi (Nb.79 Ta.21) O4
compound: Malkhan field, Central Transbaikalia, Russia
formula_title: <missing>
a: 5.668
b: 11.725
c: 4.971
alpha: 90
beta: 90
gamma: 90
cell_volume: 330.359
crystal_density: 7.728
atoms_sites: ["Bi", "Nb", "Ta", "O1", "O2"]
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pub_title:
 Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
 structural relation to the other ABO4 minerals with
 stibiotantalite (SbTaO4) structure

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formula: Sb (Nb.33 Ta.67) O4
compound: Mesa Grande, California, USA
formula_title: <missing>
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beta: 90
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pub_title:
 Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their
 structural relation to the other ABO4 minerals with
 stibiotantalite (SbTaO4) structure

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formula: Cu3 As S4
compound: Bor, Serbia
pub_title: Crystal and absolute structure of enargite from Bor (Serbia)
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formula: Pb Se O3
compound: El Dragon mine, Potosi, Bolivia
pub_title: The crystal structure of molybdomenite, PbSeO3
formula_title: <missing>
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b: 5.5137
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formula: Pb Zn As O5 H
compound: Tsumeb, Namibia
pub_title: The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia)
formula_title: <missing>
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formula: (Fe.5 Sb.5) O2
compound: Synthetic
pub_title: Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type
formula_title: <missing>
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beta: 90
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formula: (Fe.5 Sb.5) O2
compound: Djebel Nador, Algeria
formula_title: <missing>
a: 4.6353
b: 4.6353
c: 3.0694
alpha: 90
beta: 90
gamma: 90
cell_volume: 65.949
crystal_density: 6.083
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pub_title:
 Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type
 Sample: case 1 refinement in the rutile structure
 This is the preferred structural model

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formula: Fe1.5 Sb1.5 O6
compound: Djebel Nador, Algeria
formula_title: <missing>
a: 4.6326
b: 4.6326
c: 9.2031
alpha: 90
beta: 90
gamma: 90
cell_volume: 197.508
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pub_title:
 Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type
 Sample: case 2 refinement, not acceptable structure model

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formula: (Fe.5 Sb.5) O2
compound: Djebel Nador, Algeria
formula_title: <missing>
a: 4.6323
b: 4.6323
c: 9.2030
alpha: 90
beta: 90
gamma: 90
cell_volume: 197.480
crystal_density: 6.094
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pub_title:
 Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type
 Sample: case 3 refinement, not acceptable structure model

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formula: Ba Be2 Si2 O7
compound: Khibina alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 11.650
b: 4.922
c: 4.674
alpha: 90
beta: 90
gamma: 90
cell_volume: 268.013
crystal_density: 4.009
atoms_sites: ["Ba", "Be", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and
 physical properties
 Note: polytype barylite-1O

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formula: (Zn.566 Fe.434) S
compound: <missing>
pub_title: The Fe S - Zn S system. A geological thermometer
formula_title: <missing>
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b: 3.8353
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formula: (Zn.558 Fe.442) S
compound: <missing>
pub_title: The Fe S - Zn S system. A geological thermometer
formula_title: <missing>
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formula: Pb Sb O2 Cl
compound: Djebel Nador, Algeria
pub_title: Riesame della struttura cristallina della nadorite: PbSbO2Cl
formula_title: <missing>
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b: 12.245
c: 5.448
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beta: 90
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formula: Ag3 As S3
compound: <missing>
pub_title: Phase transitions in proustite I. Structural studies Sample: T = 35 K
formula_title: <missing>
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b: 10.767
c: 8.713
alpha: 90
beta: 90
gamma: 120
cell_volume: 874.758
crystal_density: 5.635
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formula: Ag3 As S3
compound: <missing>
pub_title: Phase transitions in proustite I. Structural studies Sample: T = 63 K
formula_title: <missing>
a: 10.768
b: 10.768
c: 8.720
alpha: 90
beta: 90
gamma: 120
cell_volume: 875.623
crystal_density: 5.629
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formula: Ag3 As S3
compound: <missing>
formula_title: <missing>
a: 10.825
b: 10.825
c: 8.704
alpha: 90
beta: 90
gamma: 120
cell_volume: 883.294
crystal_density: 5.580
atoms_sites: ["Ag", "As", "S"]
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pub_title:
 Phase transitions in proustite I. Structural studies
 Sample: T = 300 K
 Note: calculated Ag-S bondlengths do not match those reported

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formula: Au
compound: Synthetic
formula_title: <missing>
a: 4.0699
b: 4.0699
c: 4.0699
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.414
crystal_density: 19.407
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pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 5 radiation types

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formula: Cu
compound: Synthetic
formula_title: <missing>
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b: 3.6077
c: 3.6077
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.956
crystal_density: 8.989
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pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 2 radiation types

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAIAAAEAAAAAAAAAAAAAAAgAAAAAAAAAEAABAAAAAAAAAAAAQAAAAAAABAAAAAAAAAAAAAQA==


formula: Al
compound: Synthetic
formula_title: <missing>
a: 4.0406
b: 4.0406
c: 4.0406
alpha: 90
beta: 90
gamma: 90
cell_volume: 65.969
crystal_density: 2.717
atoms_sites: ["Al"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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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:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 4 radiation types


formula: Pt
compound: Synthetic
formula_title: <missing>
a: 3.9158
b: 3.9158
c: 3.9158
alpha: 90
beta: 90
gamma: 90
cell_volume: 60.043
crystal_density: 21.580
atoms_sites: ["Pt"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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
pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 5 radiation types

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAEAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAACAAACAAAAAAAAAAAAAAgAAAAAAAACAACAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAIAAAAAAQAIAAAAA==


formula: Rh
compound: Synthetic
formula_title: <missing>
a: 3.7957
b: 3.7957
c: 3.7957
alpha: 90
beta: 90
gamma: 90
cell_volume: 54.686
crystal_density: 12.499
atoms_sites: ["Rh"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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
pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 3 radiation types

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAEAAAEAAAAAAAAAAAAAAIAAAAAAAAAQAAIAAAAAAAAAAAQAAAAAAAIAAAAAAAAAAAAQAAAAAAIAE==


formula: Ir
compound: Synthetic
formula_title: <missing>
a: 3.8312
b: 3.8312
c: 3.8312
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.235
crystal_density: 22.704
atoms_sites: ["Ir"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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
pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18C
 Note: lattice parameter is mean value of 3 radiation types

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAACAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAACAAACAAAAAAAAAAAAAAIAAAAAAAAAQAAIAAAAAAAAAABAAAAAAAAgAAAAAAAAAAAEAAAAAACAAgA==


formula: Ag
compound: Synthetic
formula_title: <missing>
a: 4.0772
b: 4.0772
c: 4.0772
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.778
crystal_density: 10.571
atoms_sites: ["Ag"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Precision measurements of crystal parameters
 Sample: at T = 18 C
 Note: lattice parameter is mean value of 5 radiation types

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAIAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAQAAAgAAAAAAAAAAAACAAAAAAAAAgABAAAAAAAAAABAAAAAAAEAAAAAAAAAAAIAAAAAAgAQAAAAAAAEAAA==


formula: Pd
compound: Synthetic
formula_title: <missing>
a: 3.8824
b: 3.8824
c: 3.8824
alpha: 90
beta: 90
gamma: 90
cell_volume: 58.520
crystal_density: 12.079
atoms_sites: ["Pd"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAgAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAEAAAEAAAAAAAAAAAAABAAAAAAAAAEAACAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAACAAAAAACABAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5170
b: 3.5170
c: 3.5170
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.503
crystal_density: 8.961
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 12 C
 Note: film 601 & 617

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAAAgAAAAAAAAABAAAQAAAAAAAAAAABAAAAAAAACAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5170
b: 3.5170
c: 3.5170
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.503
crystal_density: 8.961
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 13 C
 Note: film 563 & 608

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAAAgAAAAAAAAABAAAQAAAAAAAAAAABAAAAAAAACAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5170
b: 3.5170
c: 3.5170
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.503
crystal_density: 8.961
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 14 C
 Note: films 569, 574, 596, 597


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5170
b: 3.5170
c: 3.5170
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.503
crystal_density: 8.961
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 15 C
 Note: films 560, 562, 621, 625, 626


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 98 C Note: film 565
formula_title: <missing>
a: 3.5212
b: 3.5212
c: 3.5212
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.659
crystal_density: 8.929
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAACAAAAgAAAAAAAAAAAAAAAgAAAAAAAAACAAAgAAAAAAAAAAACAAAAAAAAEAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 187 C Note: film 567
formula_title: <missing>
a: 3.5259
b: 3.5259
c: 3.5259
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.834
crystal_density: 8.893
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAEAAABAAAAAAAAAAAAAAABAAAAAAAAAAEAABAAAAAAAAAAAAEAAAAAAAAIAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 257 C Note: film 573
formula_title: <missing>
a: 3.5295
b: 3.5295
c: 3.5295
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.968
crystal_density: 8.866
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAIAAABAAAAAAAAAAAAAAACAAAAAAAAAAIAACAAAAAAAAAAAAIAAAAAAAAQAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 275 C Note: film 595
formula_title: <missing>
a: 3.5302
b: 3.5302
c: 3.5302
alpha: 90
beta: 90
gamma: 90
cell_volume: 43.994
crystal_density: 8.861
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAACAAAAAAAAAAIAACAAAAAAAAAAAAIAAAAAAAAQAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 301 C Note: film 564
formula_title: <missing>
a: 3.5319
b: 3.5319
c: 3.5319
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.058
crystal_density: 8.848
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAACAAAAAAAAAAQAACAAAAAAAAAAAAIAAAAAAAAgAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 331 C Note: film 594
formula_title: <missing>
a: 3.5335
b: 3.5335
c: 3.5335
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.118
crystal_density: 8.836
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAAEAAAAAAAAAAQAAEAAAAAAAAAAAAQAAAAAAAAgAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 341 C Note: film 611
formula_title: <missing>
a: 3.5343
b: 3.5343
c: 3.5343
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.148
crystal_density: 8.830
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAQAAACAAAAAAAAAAAAAAAEAAAAAAAAAAQAAEAAAAAAAAAAAAQAAAAAAABAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5345
b: 3.5345
c: 3.5345
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.155
crystal_density: 8.829
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 345 C
 Note: film 616 & 610


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 356 C Note: film 624
formula_title: <missing>
a: 3.5355
b: 3.5355
c: 3.5355
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.193
crystal_density: 8.821
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAQAAACAAAAAAAAAAAAAAAEAAAAAAAAAAQAAEAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
formula_title: <missing>
a: 3.5367
b: 3.5367
c: 3.5367
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.238
crystal_density: 8.812
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
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:
 X-ray measurement of the thermal expansion of pure nickel
 Sample: at T = 370 C
 Note: film 577 & 598

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAEAAAAAAAAAAgAAEAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 398 C Note: film 556
formula_title: <missing>
a: 3.5383
b: 3.5383
c: 3.5383
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.298
crystal_density: 8.800
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAIAAAAAAAAAAgAAIAAAAAAAAAAAAgAAAAAAABAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 429 C Note: film 591
formula_title: <missing>
a: 3.5402
b: 3.5402
c: 3.5402
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.369
crystal_density: 8.786
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAQAAAEAAAAAAAAAAAAAAAIAAAAAAAAABAAAIAAAAAAAAAAAAgAAAAAAACAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 460 C Note: film 572
formula_title: <missing>
a: 3.5422
b: 3.5422
c: 3.5422
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.445
crystal_density: 8.771
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAgAAAIAAAAAAAAAAAAAAAQAAAAAAAAABAAAQAAAAAAAAAAABAAAAAAAACAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 603 C Note: film 568
formula_title: <missing>
a: 3.5508
b: 3.5508
c: 3.5508
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.769
crystal_density: 8.708
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
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qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAAAgAAAAAAAAAEAABAAAAAAAAAAAAEAAAAAAAAIAAAAAAAAAAAA==


formula: Ni
compound: Synthetic
pub_title: X-ray measurement of the thermal expansion of pure nickel Sample: at T = 608 C Note: film 615
formula_title: <missing>
a: 3.5516
b: 3.5516
c: 3.5516
alpha: 90
beta: 90
gamma: 90
cell_volume: 44.799
crystal_density: 8.702
atoms_sites: ["Ni"]
atoms_x: AAAAAA==
atoms_y: AAAAAA==
atoms_z: AAAAAA==
atoms_occupancy: 0
atoms_u_iso: 0
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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:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAABAAAAQAAAAAAAAAAAAAAAgAAAAAAAAAEAABAAAAAAAAAAAAIAAAAAAAAIAAAAAAAAAAAA==


formula: As
compound: Synthetic
pub_title: The structures of orthorhombic and vitrous arsenic Note: known as arsenolamprite
formula_title: <missing>
a: 3.65
b: 4.47
c: 11.00
alpha: 90
beta: 90
gamma: 90
cell_volume: 179.470
crystal_density: 5.546
atoms_sites: ["As"]
atoms_x: AAAAAA==
atoms_y: gKkDAA==
atoms_z: wLYGAA==
atoms_occupancy: 0
atoms_u_iso: ILIAAA==
atoms_aniso_label: "<missing>"
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qdat:
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formula: Zn S
compound: Synthetic
pub_title: Electroluminescence and crystal structure in the alloy system ZnS - CdS
formula_title: <missing>
a: 3.818
b: 3.818
c: 6.26
alpha: 90
beta: 90
gamma: 120
cell_volume: 79.027
crystal_density: 4.096
atoms_sites: ["Zn", "S"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAGDjFgA=
atoms_occupancy: 0
atoms_u_iso: ILIAAJiKAAA=
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formula: Fe2 Si O4
compound: <missing>
formula_title: <missing>
a: 4.822
b: 10.488
c: 6.094
alpha: 90
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 Single crystal X-ray diffraction study on the bond compressibility
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pub_title:
 A 2212 bismuth cuprate with a non-modulated structure
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pub_title:
 Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
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pub_title:
 Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
 A neutron diffraction study
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pub_title:
 Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
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pub_title:
 Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7.
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pub_title:
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pub_title:
 A mercury-based superconducting cuprate, intergrowth of the 2201 and
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formula_title: Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5
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 Further evidence for Tl3+ in Tl-based superconductors from improved
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pub_title:
 A 94K Hg-based superconductor with a "1212" structure
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pub_title:
 Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x
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pub_title:
 Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d
 Single-crystal X-ray diffraction results
 Sample: Hg-1212 superconductor

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pub_title:
 (Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal.
 A structural and magnetic study
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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 Effects of extra oxygen on the structure and superconductivity of
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pub_title:
 Lattice constants and thermal expansion of silicon up to 900 C by X-ray method
 Sample: at T = 878 C

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formula: Al2 O3
compound: <missing>
formula_title: <missing>
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b: 4.7606
c: 12.994
alpha: 90
beta: 90
gamma: 120
cell_volume: 255.033
crystal_density: 3.983
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pub_title:
 Ruby structure peculiarities derived from X-ray data. Localization of
 chromium atoms and electron deformation density
 _cod_database_code 1000017

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formula: Ge
compound: Synthetic
formula_title: <missing>
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b: 4.656
c: 4.667
alpha: 90
beta: 90
gamma: 90
cell_volume: 171.359
crystal_density: 11.258
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pub_title:
 High-pressure structures of Ge above 100 GPa
 Sample: at P = 135 GPa
 Note: structure theoretically calculated based on experimental data

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pub_title: La3 Ba3 Cu6 O14+x: A Single Phase Or A Mixture? _cod_database_code 1001376
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formula: Zn
compound: Synthetic
pub_title: Graphical determination of hexagonal and tetragonal crystal structures from X-ray data
formula_title: <missing>
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b: 2.670
c: 4.966
alpha: 90
beta: 90
gamma: 120
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crystal_density: 7.083
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formula: Ti
compound: synthetic, known as the alpha phase
pub_title: Crystal structure of titanium, zirconium, cerium, thorium and osmium
formula_title: <missing>
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c: 4.72
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beta: 90
gamma: 120
cell_volume: 36.057
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formula: V
compound: <missing>
pub_title: Crystal structures of vanadium, germanium and graphite
formula_title: <missing>
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c: 3.04
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gamma: 90
cell_volume: 28.094
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formula: Al
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 66.233
crystal_density: 2.706
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formula: Fe
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
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b: 2.858
c: 2.858
alpha: 90
beta: 90
gamma: 90
cell_volume: 23.345
crystal_density: 7.945
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formula: Ni
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 3.499
b: 3.499
c: 3.499
alpha: 90
beta: 90
gamma: 90
cell_volume: 42.838
crystal_density: 9.100
atoms_sites: ["Ni"]
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formula: Cu
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1,2 & 3
formula_title: <missing>
a: 3.597
b: 3.597
c: 3.597
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.539
crystal_density: 9.069
atoms_sites: ["Cu"]
atoms_x: AAAAAA==
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qdat:
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formula: Mo
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 3 & 4
formula_title: <missing>
a: 3.136
b: 3.136
c: 3.136
alpha: 90
beta: 90
gamma: 90
cell_volume: 30.841
crystal_density: 10.331
atoms_sites: ["Mo"]
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qdat:
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formula: Pd
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 3.859
b: 3.859
c: 3.859
alpha: 90
beta: 90
gamma: 90
cell_volume: 57.468
crystal_density: 12.300
atoms_sites: ["Pd"]
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formula: Ag
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 4.079
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c: 4.079
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.867
crystal_density: 10.557
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formula: Ag
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 3 & 4
formula_title: <missing>
a: 4.058
b: 4.058
c: 4.058
alpha: 90
beta: 90
gamma: 90
cell_volume: 66.825
crystal_density: 10.722
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formula: W
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 3.155
b: 3.155
c: 3.155
alpha: 90
beta: 90
gamma: 90
cell_volume: 31.405
crystal_density: 19.442
atoms_sites: ["W"]
atoms_x: AAAAAA==
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formula: W
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: run 3
formula_title: <missing>
a: 3.157
b: 3.157
c: 3.157
alpha: 90
beta: 90
gamma: 90
cell_volume: 31.465
crystal_density: 19.405
atoms_sites: ["W"]
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formula: W
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 3 & 4
formula_title: <missing>
a: 3.158
b: 3.158
c: 3.158
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beta: 90
gamma: 90
cell_volume: 31.495
crystal_density: 19.387
atoms_sites: ["W"]
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formula: Pt
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of three runs
formula_title: <missing>
a: 3.912
b: 3.912
c: 3.912
alpha: 90
beta: 90
gamma: 90
cell_volume: 59.868
crystal_density: 21.643
atoms_sites: ["Pt"]
atoms_x: AAAAAA==
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formula: Au
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 4.065
b: 4.065
c: 4.065
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.171
crystal_density: 19.477
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formula: Au
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1,2 & 3
formula_title: <missing>
a: 4.073
b: 4.073
c: 4.073
alpha: 90
beta: 90
gamma: 90
cell_volume: 67.568
crystal_density: 19.362
atoms_sites: ["Au"]
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formula: Pb
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 4.920
b: 4.920
c: 4.920
alpha: 90
beta: 90
gamma: 90
cell_volume: 119.095
crystal_density: 11.556
atoms_sites: ["Pb"]
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formula: Bi
compound: Synthetic
pub_title: Lattice constants of twelve common metals Note: lattice parameter is average of runs 1 & 2
formula_title: <missing>
a: 4.539
b: 4.539
c: 11.829
alpha: 90
beta: 90
gamma: 120
cell_volume: 211.057
crystal_density: 3.288
atoms_sites: ["Bi"]
atoms_x: VVgUAA==
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