Crystallography Open Database

Information card for entry 7001696

Preview

Coordinates	7001696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 Mo3 O16 Te3
Calculated formula	Ag2 Mo3 O16 Te3
Title of publication	Explorations of new second-order NLO materials in the AgI-MoVI/WVI-TeIV-O systems
Authors of publication	Zhou, Yong; Hu, Chun-Li; Hu, Ting; Kong, Fang; Mao, Jiang-Gao
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5747
a	7.398 ± 0.006 Å
b	11.296 ± 0.008 Å
c	8.245 ± 0.01 Å
α	90°
β	97.73 ± 0.011°
γ	90°
Cell volume	682.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
179714 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16.	7001696.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001696.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001696.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001696.cif