Crystallography Open Database

Information card for entry 7211346

Preview

Coordinates	7211346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O9 Te W2
Calculated formula	Ba O9 Te W2
Title of publication	Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9
Authors of publication	Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	47
Pages of publication	10197
a	13.9824 ± 0.0008 Å
b	5.5774 ± 0.0003 Å
c	9.8671 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	769.49 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211346.cif
91432	2013-12-13	cif/ Adding structures of 7211346 via cif-deposit CGI script.	7211346.cif