Crystallography Open Database

Information card for entry 1561011

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Coordinates	1561011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cl2 O6 Se2 Zn2
Calculated formula	Ba Cl2 O6 Se2 Zn2
Title of publication	Crystal structures and characterizations of two new selenite chlorides: 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2
Authors of publication	Li, Qiang; Geng, Lei; Lu, Hong-Yan; Dai, Kai; Cheng, Wen-Dan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	265
Pages of publication	117 - 122
a	5.5156 ± 0.0003 Å
b	5.5156 ± 0.0003 Å
c	24.584 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	647.69 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.012
Residual factor for significantly intense reflections	0.0114
Weighted residual factors for significantly intense reflections	0.0286
Weighted residual factors for all reflections included in the refinement	0.029
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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