Information card for entry 4341920

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 ų
• 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 Fobs: No