Crystallography Open Database

Information card for entry 1515383

Preview

Coordinates	1515383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al9.1 K8 Si36.9
Calculated formula	Al7.644 K8 Si38.356
Title of publication	Si-based Earth abundant clathrates for solar energy conversion
Authors of publication	He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia
Journal of publication	Energy & Environmental Science
Year of publication	2014
Journal volume	7
Journal issue	8
Pages of publication	2598
a	10.4802 ± 0.0016 Å
b	10.4802 ± 0.0016 Å
c	10.4802 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1151.1 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0123
Residual factor for significantly intense reflections	0.0113
Weighted residual factors for significantly intense reflections	0.0313
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515383.cif
121724	2014-08-08	cif/ Updating files of 1515383 Original log message: Adding full bibliography for 1515383.cif.	1515383.cif
111469	2014-04-23	cif/ Adding structures of 1515383 via cif-deposit CGI script.	1515383.cif