Crystallography Open Database

Information card for entry 4001778

Preview

Coordinates	4001778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K1.316 Mg0.658 S4 Sn1.342
Calculated formula	K1.32 Mg0.66 S4 Sn1.34
Title of publication	Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation
Authors of publication	Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	10
Pages of publication	2116
a	3.6749 ± 0.0004 Å
b	3.6749 ± 0.0004 Å
c	16.827 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	196.8 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for significantly intense reflections	2.51
Goodness-of-fit parameter for all reflections included in the refinement	2.4
Diffraction radiation wavelength	0.4428 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001778.cif
87154	2013-07-14	cif/ Adding structures of 4001778 via cif-deposit CGI script.	4001778.cif