Crystallography Open Database

Information card for entry 1508417

Preview

Coordinates	1508417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Ga1.79 Sn4.21
Calculated formula	Ba Ga1.79 Sn4.21
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	4.5383 ± 0.0006 Å
b	12.2486 ± 0.0016 Å
c	14.3747 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	799.06 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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.	1508417.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508417.cif
69137	2012-12-03	cif/ Adding structures of 1508417 via cif-deposit CGI script.	1508417.cif