Crystallography Open Database

Information card for entry 4001781

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Coordinates	4001781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li4 Se4 Sn
Calculated formula	Li4 Se4 Sn
SMILES	[Li+].[Li+].[Li+].[Se-][Sn]([Se-])([Se-])[Se-].[Li+]
Title of publication	Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds
Authors of publication	Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	15
Pages of publication	2961
a	14.931 ± 0.003 Å
b	8.2217 ± 0.0016 Å
c	6.5989 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	810.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001781.cif
87814	2013-08-27	cif/ Adding structures of 4001781 via cif-deposit CGI script.	4001781.cif