Information card for entry 4104569

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 ų
• 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 Fobs: No