Crystallography Open Database

Information card for entry 1570297

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Coordinates	1570297.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Heptalithium disulfid tetrasulfidophosphate(V)
Formula	Li7 P S6
Calculated formula	Li6.36 P S6
Title of publication	Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy
Authors of publication	Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof
Journal of publication	Chemistry – A European Journal
Year of publication	2010
Journal volume	16
Journal issue	17
Pages of publication	5138 - 5147
a	9.993 ± 0.001 Å
b	9.993 ± 0.001 Å
c	9.993 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	997.9 ± 0.17 Å³
Cell temperature	503 K
Number of distinct elements	3
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections	1.183
Diffraction radiation wavelength	0.71973 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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