Information card for entry 2014508

Structure parameters

• Chemical name: dithallium sulfate
• Formula: O4 S Tl2
• Calculated formula: O4 S Tl2
• SMILES: [Tl+].[Tl+].S(=O)(=O)([O-])[O-]
• Title of publication: β-Tl~2~SO~4~
• Authors of publication: Wallez, Gilles; Jaulmes, Sylvie; Elfakir, Ammy; Souron, Jean-Paul; Quarton, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: i107 - i109
• a: 7.818 ± 0.001 Å
• b: 5.931 ± 0.001 Å
• c: 10.634 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 493.08 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No