Crystallography Open Database

Information card for entry 1561010

Preview

Coordinates	1561010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Cl2 O6 Se2 Zn
Calculated formula	Ba2 Cl2 O6 Se2 Zn
SMILES	[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Zn](O[Se](=O)[O-])(Cl)(O[Se](=O)[O-])(Cl)(O[Se]1=O)O[Se](=O)O[Zn](O1)(Cl)Cl
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	6.7677 ± 0.0003 Å
b	12.6321 ± 0.0004 Å
c	5.3916 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	460.93 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0092
Residual factor for significantly intense reflections	0.0088
Weighted residual factors for significantly intense reflections	0.0227
Weighted residual factors for all reflections included in the refinement	0.0228
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263032 (current)	2021-03-15	cif/ Adding structures of 1561010, 1561011 via cif-deposit CGI script.	1561010.cif