Crystallography Open Database

Information card for entry 4104569

Preview

Coordinates	4104569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Hg2 Tl2
Calculated formula	Ba Hg2 Tl2
Title of publication	BaHg2Tl2. An Unusual Polar Intermetallic Phase with Strong Differentiation between the Neighboring Elements Mercury and Thallium
Authors of publication	Jing-Cao Dai; Shalabh Gupta; Olivier Gourdon; Hyun-Jeong Kim; John D. Corbett
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8677 - 8682
a	10.606 ± 0.0015 Å
b	10.606 ± 0.0015 Å
c	5.159 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	580.32 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178791 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45.	4104569.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104569.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104569.cif
29594	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104569 via cif-deposit CGI script.	4104569.cif