Crystallography Open Database

Information card for entry 1540430

Preview

Coordinates	1540430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K1.92 S7.04 Sn3.04
Calculated formula	K1.912 S7.041 Sn3.041
Title of publication	K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions
Authors of publication	Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	2
Pages of publication	1121
a	13.092 ± 0.003 Å
b	16.882 ± 0.002 Å
c	7.3748 ± 0.0013 Å
α	90°
β	98.1 ± 0.015°
γ	90°
Cell volume	1613.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.2807
Weighted residual factors for all reflections included in the refinement	0.31
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
175905 (current)	2016-02-04	cif/ Updating files of 1540429, 1540430 Original log message: Adding full bibliography for 1540429--1540430.cif.	1540430.cif
169775	2015-10-28	cif/ Adding structures of 1540429, 1540430 via cif-deposit CGI script.	1540430.cif