Crystallography Open Database

Information card for entry 1562914

Preview

Coordinates	1562914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 K O9 Sr4
Calculated formula	B3 K O9 Sr4
SMILES	[B]([O-])([O-])[O-].B([O-])([O-])[O-].[K+].B([O-])([O-])[O-].[Sr+2].[Sr+2].[Sr+2].[Sr+2]
Title of publication	Structure, growth and properties of a novel polar material, KSr4B3O9
Authors of publication	Zhao, Wenwu; Pan, Shilie; Wang, Yongjiang; Yang, Zhihua; Wang, Xian; Han, Jian
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	195
Pages of publication	73 - 78
a	11.025 ± 0.01 Å
b	11.977 ± 0.01 Å
c	6.872 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	907.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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