Crystallography Open Database

Information card for entry 4111783

Preview

Coordinates	4111783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag Sb Te2
Calculated formula	Ag Sb Te2
Title of publication	Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions
Authors of publication	Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	9177 - 9190
a	4.2898 ± 0.0006 Å
b	4.2898 ± 0.0006 Å
c	6.0667 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	111.64 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
178888 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/17.	4111783.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111783.cif
63388	2012-07-27	cif/ Adding structures of 4111783 via cif-deposit CGI script.	4111783.cif