Crystallography Open Database

Information card for entry 4350016

Preview

Coordinates	4350016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B20 Cs12 O40 Zn4
Calculated formula	B20 Cs12 O40 Zn4
Title of publication	From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X3ZnB5O10 (X = Na, K, Rb) and Cs12Zn4(B5O10)4 crystals
Authors of publication	Baiheti, Tuohetijiang; Han, Shujuan; Tudi, AbuduKadi; Yang, Zhihua; Yu, H. H.; Pan, Shilie
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	6
Pages of publication	1461
a	18.739 ± 0.016 Å
b	19.326 ± 0.016 Å
c	14.495 ± 0.012 Å
α	90°
β	109.52 ± 0.01°
γ	90°
Cell volume	4948 ± 7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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