Information card for entry 2017648

Structure parameters

• Chemical name: Dithallium chromate
• Formula: Cr O4 Tl2
• Calculated formula: Cr O4 Tl2
• SMILES: O=[Cr](=O)([O-])[O-].[Tl+].[Tl+]
• Title of publication: A new modification of thallium chromate related to the β-K~2~SO~4~ family
• Authors of publication: Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: i45 - i49
• a: 12.7458 ± 0.0008 Å
• b: 5.807 ± 0.0003 Å
• c: 14.721 ± 0.001 Å
• α: 90°
• β: 113.519 ± 0.007°
• γ: 90°
• Cell volume: 999.06 ± 0.12 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 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: 0.0806
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes