Crystallography Open Database

Information card for entry 4512126

Preview

Coordinates	4512126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd0.84 Cs2 Hg5.16 S7
Calculated formula	Cd0.836 Cs2 Hg5.164 S7
Title of publication	Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection
Authors of publication	Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5949
a	13.966 ± 0.002 Å
b	13.966 ± 0.002 Å
c	4.1535 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	810.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	102
Hermann-Mauguin space group symbol	P 42 n m
Hall space group symbol	P 4n -2n
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512126.cif
126825	2014-11-11	cif/ Updating files of 4512126, 4512127, 4512128 Original log message: Adding full bibliography for 4512126--4512128.cif.	4512126.cif
125212	2014-10-10	cif/ Adding structures of 4512126, 4512127, 4512128 via cif-deposit CGI script.	4512126.cif