Crystallography Open Database

Information card for entry 4002197

Preview

Coordinates	4002197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8 Ga7.8 Si38.2
Calculated formula	Cs8 Ga7.764 Si38.236
Title of publication	Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38
Authors of publication	Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	8
Pages of publication	2812
a	10.5339 ± 0.0003 Å
b	10.5339 ± 0.0003 Å
c	10.5339 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1168.87 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0149
Residual factor for significantly intense reflections	0.0127
Weighted residual factors for significantly intense reflections	0.0298
Weighted residual factors for all reflections included in the refinement	0.03
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4002197.cif
138079	2015-06-05	cif/ Updating files of 4002196, 4002197, 4002198 Original log message: Adding full bibliography for 4002196--4002198.cif.	4002197.cif
135198	2015-04-10	cif/ Adding structures of 4002197 via cif-deposit CGI script.	4002197.cif