Crystallography Open Database

Information card for entry 1508014

Preview

Coordinates	1508014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Ga2 S7 Sb2
Calculated formula	Cs2 Ga2 S7 Sb2.004
Title of publication	Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide.
Authors of publication	Ding, Nan; Kanatzidis, Mercouri G.
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	3
Pages of publication	187 - 191
a	15.591 ± 0.003 Å
b	9.1815 ± 0.0018 Å
c	12.575 ± 0.003 Å
α	90°
β	114.26 ± 0.03°
γ	90°
Cell volume	1641.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1429
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.2671
Weighted residual factors for all reflections included in the refinement	0.2956
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508014.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508014.cif
62560	2012-07-09	cif/ Adding structures of 1508014 via cif-deposit CGI script.	1508014.cif