Crystallography Open Database

Information card for entry 4001496

Preview

Coordinates	4001496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi Cd I Se2
Calculated formula	Bi Cd I 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	13.659 ± 0.003 Å
b	4.192 ± 0.0008 Å
c	10.193 ± 0.002 Å
α	90°
β	90.88 ± 0.03°
γ	90°
Cell volume	583.6 ± 0.2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.027
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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.	4001496.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001496.cif
47574	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001491, 4001492, 4001493, 4001494, 4001495, 4001496 via cif-deposit CGI script.	4001496.cif