Crystallography Open Database

Information card for entry 4104570

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Coordinates	4104570.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	10.5933 ± 0.0006 Å
b	10.5933 ± 0.0006 Å
c	5.1594 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	578.98 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.1288
Residual factor for significantly intense reflections	0.1263
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1262
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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