Crystallography Open Database

Information card for entry 4114682

Preview

Coordinates	4114682.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cesium lead bismuth telluride (0.85/0.85/3.15/6)
Formula	Bi3.15 Cs0.85 Pb0.85 Te6
Calculated formula	Bi2 Cs0.42 Te3
Title of publication	CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures
Authors of publication	Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	2410 - 2411
a	6.3322 ± 0.0006 Å
b	28.667 ± 0.003 Å
c	4.3637 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	792.12 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
178917 (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 4/11/46.	4114682.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114682.cif
68022	2012-10-11	cif/ Adding structures of 4114682 via cif-deposit CGI script.	4114682.cif