Crystallography Open Database

Information card for entry 4503206

Preview

Coordinates	4503206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Mo2 O9 Te
Calculated formula	Ba Mo2 O9 Te
Title of publication	Bulk Growth and Characterization of a Novel Nonlinear Optical Crystal BaTeMo2O9
Authors of publication	Zhang, Weiguo; Tao, Xutang; Zhang, Chengqian; Gao, Zeliang; Zhang, Yongzhuan; Yu, Wentao; Cheng, Xiufeng; Liu, Xuesong; Jiang, Minhua
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	304
a	5.5346 ± 0.0001 Å
b	7.4562 ± 0.0001 Å
c	8.8342 ± 0.0001 Å
α	90°
β	90.897 ± 0.001°
γ	90°
Cell volume	364.517 ± 0.009 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0163
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.0361
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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.	4503206.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503206.cif
41411	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503206 via cif-deposit CGI script.	4503206.cif