Crystallography Open Database

Information card for entry 4001667

Preview

Coordinates	4001667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H52 Li4 O13 S4 Sn
Calculated formula	C13 H52 Li4 O13 S4 Sn
SMILES	[S-][Sn]([S-])([S-])[S-].[Li+].[Li+].[Li+].[Li+].OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC.OC
Title of publication	New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4
Authors of publication	Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	11
Pages of publication	2211
a	10.849 ± 0.002 Å
b	23.029 ± 0.005 Å
c	14.61 ± 0.003 Å
α	90°
β	98.46 ± 0.03°
γ	90°
Cell volume	3610.5 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	0.802
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4001667.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001667.cif
62275	2012-07-07	cif/ Adding structures of 4001665, 4001666, 4001667 via cif-deposit CGI script.	4001667.cif