Information card for entry 4341922

Structure parameters

• Formula: Cl3 Cs Hg0.95 Tl0.05
• Calculated formula: Cl3 Cs Hg0.947 Tl0.0528
• 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: 5.375 ± 0.0011 Å
• b: 5.375 ± 0.0011 Å
• c: 5.375 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 155.29 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No