Information card for entry 2017545

Structure parameters

• Common name: Thallium Carbonate
• Chemical name: Dithallium carbonate
• Formula: C O3 Tl2
• Calculated formula: C O3 Tl2
• SMILES: [Tl+].[Tl+].C(=O)([O-])[O-]
• Title of publication: Crystal structure and stability of Tl~2~CO~3~ at high pressures
• Authors of publication: Grzechnik, A.; Friese, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: i37 - i38
• a: 12.02 ± 0.02 Å
• b: 5.15 ± 0.002 Å
• c: 7.198 ± 0.004 Å
• α: 90°
• β: 122.08 ± 0.1°
• γ: 90°
• Cell volume: 377.5 ± 0.8 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 2.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes