Crystallography Open Database

Information card for entry 4001495

Preview

Coordinates	4001495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi Br Cd Se2
Calculated formula	Bi Br Cd Se2
Title of publication	Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Authors of publication	Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	5
Pages of publication	1219
a	10.025 ± 0.002 Å
b	4.119 ± 0.0008 Å
c	13.143 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	542.7 ± 0.2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0291
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4001495.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001495.cif
47574	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001491, 4001492, 4001493, 4001494, 4001495, 4001496 via cif-deposit CGI script.	4001495.cif