Crystallography Open Database

Information card for entry 4001651

Preview

Coordinates	4001651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi3.75 Cs0.75 Se3.3 Te2.7
Calculated formula	Bi3.75 Cs0.75 Se3.31 Te2.69
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	24.006 ± 0.012 Å
b	4.291 ± 0.002 Å
c	14.258 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1468.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	4001651.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001651.cif
59746	2012-06-13	cif/ Adding structures of 4001648, 4001649, 4001650, 4001651 via cif-deposit CGI script.	4001651.cif