Crystallography Open Database

Information card for entry 4338049

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Coordinates	4338049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ba O12 Sb2
Calculated formula	B4 Ba O12 Sb2
Title of publication	KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups.
Authors of publication	Huang, Chao; Zhang, Jian-Han; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3847
a	6.9818 ± 0.0014 Å
b	11.8452 ± 0.0019 Å
c	11.089 ± 0.003 Å
α	90°
β	102.772 ± 0.014°
γ	90°
Cell volume	894.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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