Information card for entry 2243590

Structure parameters

• Chemical name: Thallium(I) iodide oxide
• Formula: I O Tl3
• Calculated formula: I O Tl3
• SMILES: [Tl+].[Tl+].[Tl+].[O-2].[I-]
• Title of publication: Hydroflux synthesis and crystal structure of Tl~3~IO
• Authors of publication: Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1638 - 1640
• a: 7.1512 ± 0.0003 Å
• b: 7.1512 ± 0.0003 Å
• c: 6.3639 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 281.85 ± 0.02 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.0216
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes