Crystallography Open Database

Information card for entry 4341920

4341919 << 4341920 >> 4341921

Preview

Coordinates	4341920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl6 Cs2 Hg0.18 Tl1.82
Calculated formula	Cl5.94 Cs1.98 Hg0.18 Tl1.84
Title of publication	Hole Doping and Structural Transformation in CsTl1-xHgxCl3.
Authors of publication	Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	1066 - 1075
a	10.804 ± 0.002 Å
b	10.804 ± 0.002 Å
c	10.804 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1261.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179522 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19.	4341920.cif
130551	2015-02-04	cif/ Updating files of 4341920, 4341921, 4341922 Original log message: Adding full bibliography for 4341920--4341922.cif.	4341920.cif
128628	2014-12-13	cif/ Adding structures of 4341920, 4341921, 4341922 via cif-deposit CGI script.	4341920.cif