Crystallography Open Database

Information card for entry 4124739

Preview

Coordinates	4124739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Sb7 Zn8
Calculated formula	Sb7 Zn8
Title of publication	Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric.
Authors of publication	Wang, Jian; Kovnir, Kirill
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	39
Pages of publication	12474 - 12477
a	15.0291 ± 0.001 Å
b	7.731 ± 0.0005 Å
c	12.7431 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1480.62 ± 0.17 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	2
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.34
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124739.cif
170011	2015-11-05	cif/ Adding structures of 4124739 via cif-deposit CGI script.	4124739.cif