Crystallography Open Database

Information card for entry 4119281

4119280 << 4119281 >> 4119282

Preview

Coordinates	4119281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba16 Cs8 Ga39.7 Sn96.3
Calculated formula	Ba16 Cs8 Ga39.856 Sn96.144
Title of publication	Tin Clathrates with the Type II Structure
Authors of publication	Marion C. Schäfer; Svilen Bobev
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1696 - 1699
a	17.0283 ± 0.0005 Å
b	17.0283 ± 0.0005 Å
c	17.0283 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4937.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0189
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.0315
Weighted residual factors for all reflections included in the refinement	0.0325
Goodness-of-fit parameter for all reflections included in the refinement	1.261
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
178963 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/92.	4119281.cif
103417	2014-03-04	cif/ Adding structures of 4119281 via cif-deposit CGI script.	4119281.cif