Crystallography Open Database

Information card for entry 4338195

Preview

Coordinates	4338195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs O6 Se2 Y
Calculated formula	Cs O6 Se2 Y
Title of publication	Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).
Authors of publication	Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4756 - 4762
a	8.8114 ± 0.0002 Å
b	8.8114 ± 0.0002 Å
c	8.8114 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	684.12 ± 0.03 Å³
Cell temperature	298 ± 0.2 K
Ambient diffraction temperature	298 ± 0.2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0169
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0388
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
179484 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/81.	4338195.cif
115750	2014-06-05	cif/ Updating files of 4338193, 4338194, 4338195 Original log message: Adding full bibliography for 4338193--4338195.cif.	4338195.cif
111500	2014-04-24	cif/ Adding structures of 4338193, 4338194, 4338195 via cif-deposit CGI script.	4338195.cif