Information card for entry 2243618

Structure parameters

• Chemical name: Thallium magnesium trichloride
• Formula: Cl3 Mg Tl
• Calculated formula: Cl3 Mg Tl
• SMILES: [Cl-].[Mg+2].[Tl+].[Cl-].[Cl-]
• Title of publication: The crystal structure of TlMgCl~3~ from 290K to 725K
• Authors of publication: Onken, Drew R.; Perrodin, Didier; Vogel, Sven C.; Bourret, Edith D.; Moretti, Federico
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1716 - 1719
• a: 7.0228 ± 0.0004 Å
• b: 7.0228 ± 0.0004 Å
• c: 17.4934 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 747.18 ± 0.09 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes