Information card for entry 4306938

Structure parameters

• Formula: O3 Te Tl2
• Calculated formula: O3 Te Tl2
• SMILES: [Tl+].[Tl+].[O-][Te](=O)[O-]
• Title of publication: Phase Transition in Tl2TeO3: Influence and Origin of the Thallium Lone Pair Distortion
• Authors of publication: Franziska Rieger; Anja-Verena Mudring
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 446 - 452
• a: 16.646 ± 0.002 Å
• b: 11.094 ± 0.002 Å
• c: 5.2417 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No