Crystallography Open Database

Information card for entry 4101533

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Coordinates	4101533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H20 K N5 S17 Sn5 Zn4
Calculated formula	K1.04 N5 S17 Sn5 Zn4
Title of publication	Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].
Authors of publication	Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	27
Pages of publication	8875 - 8883
a	13.8455 ± 0.0006 Å
b	13.8455 ± 0.0006 Å
c	10.0731 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1931 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	119
Hermann-Mauguin space group symbol	I -4 m 2
Hall space group symbol	I -4 -2
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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