Crystallography Open Database

Information card for entry 4001776

Preview

Coordinates	4001776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd2 Cs2 In2 Se6
Calculated formula	Cd2 Cs2 In2 Se6
Title of publication	CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection
Authors of publication	Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	10
Pages of publication	2089
a	11.708 ± 0.002 Å
b	11.712 ± 0.002 Å
c	23.051 ± 0.005 Å
α	90°
β	97.28 ± 0.03°
γ	90°
Cell volume	3135.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	4001776.cif
87153	2013-07-14	cif/ Adding structures of 4001776, 4001777 via cif-deposit CGI script.	4001776.cif