Crystallography Open Database

Information card for entry 7022830

Preview

Coordinates	7022830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I3 O13 Tl V2
Calculated formula	I3 O13 Tl V2
Title of publication	Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response.
Authors of publication	Huang, Chao; Hu, Chun-Li; Xu, Xiang; Yang, Bing-Ping; Mao, Jiang-Gao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	19
Pages of publication	7051 - 7058
a	14.1143 ± 0.0017 Å
b	10.2116 ± 0.0012 Å
c	8.0319 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1157.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179933 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28.	7022830.cif
90356	2013-11-17	cif/ Adding structures of 7022830 via cif-deposit CGI script.	7022830.cif