Crystallography Open Database





Information card for 1100750

1100749 << 1100750 >> 1100751

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Coordinates

1100750.cif

Structure parameters

Formula - Ba6 Cl3 Mn4 O34 Si12 -
Calculated formula - Ba6 Cl3 Mn4 O34 Si12 -
Title of publication Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3
Authors of publication Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3121 - 3126
a 6.8211 ± 0.0014 Å
b 9.6203 ± 0.0019 Å
c 13.172 ± 0.003 Å
α 90°
β 90°
γ 90°
Cell volume 864.4 ± 0.3 Å3
Cell temperature 293 ± 2 K
Ambient diffraction temperature 293 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P m c 21
Hall symmetry space group P 2c -2
Residual factor for all reflections 0.0474
Residual factor for observed reflections 0.0405
Weighted residual factors for the observed reflections 0.0868
Weighted residual factors for all reflections included in the refinement 0.0906
Goodness-of-fit parameter for observed reflections 1.002
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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