Crystallography Open Database

Information card for entry 4001474

Preview

Coordinates	4001474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Sb5 Zn5.92
Calculated formula	Sb5 Zn5.916
Title of publication	Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions
Authors of publication	Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	3
Pages of publication	822
a	12.2392 ± 0.0004 Å
b	12.2392 ± 0.0004 Å
c	12.4357 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1613.27 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001474.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001474.cif
47564	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001474 via cif-deposit CGI script.	4001474.cif