Crystallography Open Database

Information card for entry 4001785

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Coordinates	4001785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H62 Li4 O16 Se4 Sn
Calculated formula	C16 H64 Li4 O16 Se4 Sn
SMILES	[Se-][Sn]([Se-])([Se-])[Se-].C[OH][Li]([OH]C)([OH]C)[OH]C.C[OH][Li]([OH]C)([OH]C)[OH]C.C[OH][Li]([OH]C)([OH]C)[OH]C.C[OH][Li]([OH]C)([OH]C)[OH]C
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	13.73 ± 0.0019 Å
b	13.73 ± 0.0019 Å
c	11.9 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2243.3 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4001785.cif
87818	2013-08-27	cif/ Adding structures of 4001785 via cif-deposit CGI script.	4001785.cif