Crystallography Open Database

Information card for entry 4000942

Preview

Coordinates	4000942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 I2 Na O9 V
Calculated formula	H2 I2 Na O9 V
Title of publication	NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response
Authors of publication	Yang, Bing-Ping; Hu, Chun-Li; Xu, Xiang; Sun, Chuan-Fu; Zhang, Jian-Han; Mao, Jiang-Gao
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	4
Pages of publication	1545
a	9.1139 ± 0.0013 Å
b	5.2146 ± 0.0005 Å
c	9.2164 ± 0.0014 Å
α	90°
β	111.298 ± 0.008°
γ	90°
Cell volume	408.1 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000942.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000942.cif
36589	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000942 via cif-deposit CGI script.	4000942.cif