Crystallography Open Database

Information card for entry 4001648

Preview

Coordinates	4001648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi4 Cs Se1.02 Te4.98
Calculated formula	Bi4 Cs Se1.0245 Te4.9755
Title of publication	Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8
Authors of publication	Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	10
Pages of publication	1854
a	51.207 ± 0.005 Å
b	4.3452 ± 0.0005 Å
c	14.3095 ± 0.0015 Å
α	90°
β	101.268 ± 0.002°
γ	90°
Cell volume	3122.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4001648.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001648.cif
59746	2012-06-13	cif/ Adding structures of 4001648, 4001649, 4001650, 4001651 via cif-deposit CGI script.	4001648.cif