Crystallography Open Database

Information card for entry 4000792

Preview

Coordinates	4000792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Mo2 O9 Te
Calculated formula	Ba Mo2 O9 Te
Title of publication	Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation
Authors of publication	Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	16
Pages of publication	3752
a	14.8683 ± 0.0002 Å
b	5.6636 ± 0.0001 Å
c	17.6849 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1489.21 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4000792.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000792.cif
34962	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000792 via cif-deposit CGI script.	4000792.cif