Crystallography Open Database

Information card for entry 4119280

4119279 << 4119280 >> 4119281

Preview

Coordinates	4119280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba16 Cs8 Ga39.7 Sn96.3
Calculated formula	Ba16 Cs8 Ga40 Sn96
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	17.0145 ± 0.0006 Å
b	17.0145 ± 0.0006 Å
c	17.0145 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4925.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0197
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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.	4119280.cif
103416	2014-03-04	cif/ Adding structures of 4119280 via cif-deposit CGI script.	4119280.cif