Crystallography Open Database

Information card for entry 4104344

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Coordinates	4104344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K1.9 Mn0.95 S6 Sn2.05
Calculated formula	K1.872 Mn0.93 S6 Sn2.07
Title of publication	Highly Efficient and Rapid Cs+ Uptake by the Layered Metal Sulfide K2xMnxSn3-xS6 (KMS-1)
Authors of publication	Manolis J. Manos; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6599 - 6607
a	3.6969 ± 0.0005 Å
b	3.6969 ± 0.0005 Å
c	25.403 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	300.67 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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