Crystallography Open Database

Information card for entry 4111787

Preview

Coordinates	4111787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.5 Pb3 Sb0.5 Te4
Calculated formula	Ag0.5 Pb3.01 Sb0.49 Te4
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	6.4173 ± 0.0008 Å
b	6.4173 ± 0.0008 Å
c	6.4173 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	264.28 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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.	4111787.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111787.cif
63392	2012-07-27	cif/ Adding structures of 4111787 via cif-deposit CGI script.	4111787.cif