Crystallography Open Database

Information card for entry 4001705

Preview

Coordinates	4001705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Hg2 In2 S6
Calculated formula	Cs2 Hg2 In2 S6
Title of publication	CsHgInS3: a New Quaternary Semiconductor for γ-ray Detection
Authors of publication	Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Jin, Hosub; Morris, Collin D.; Zhao, Lidong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	22
Pages of publication	4434
a	11.2503 ± 0.0006 Å
b	11.2531 ± 0.0005 Å
c	22.2884 ± 0.0014 Å
α	90°
β	97.26 ± 0.005°
γ	90°
Cell volume	2799.1 ± 0.3 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	0.1371
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1852
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.	4001705.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001705.cif
72001	2013-01-21	cif/ Adding structures of 4001705 via cif-deposit CGI script.	4001705.cif