Crystallography Open Database

Information card for entry 1508418

Preview

Coordinates	1508418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Ga14.5 Sn31.5
Calculated formula	Ba8 Ga14.456 Sn31.544
Title of publication	Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure
Authors of publication	Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Journal of publication	Crystals
Year of publication	2012
Journal volume	1
Journal issue	3
Pages of publication	145 - 162
a	11.68 ± 0.0012 Å
b	11.68 ± 0.0012 Å
c	11.68 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1593.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.218
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508418.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508418.cif
69138	2012-12-03	cif/ Adding structures of 1508418 via cif-deposit CGI script.	1508418.cif