Crystallography Open Database

Information card for entry 4330809

Preview

Coordinates	4330809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br1.52 P13.54 Si32.46 Te6.01
Calculated formula	Br1.454 P20 Si26 Te6.04
Title of publication	Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties
Authors of publication	Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11396 - 11405
a	9.9863 ± 0.0004 Å
b	9.9863 ± 0.0004 Å
c	9.9863 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	995.9 ± 0.07 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.461
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.	4330809.cif
80267	2013-04-07	cif/ Adding structures of 4330809 via cif-deposit CGI script.	4330809.cif