Information card for entry 2103606

Structure parameters

• Chemical name: Dithallium (I)-Molybdate (VI)
• Formula: Mo O4 Tl2
• Calculated formula: Mo O4 Tl2
• SMILES: [Tl+].[Tl+].[O-][Mo](=O)(=O)[O-]
• Title of publication: Characterization of the room-temperature phase of Tl~2~MoO~4~: crystal structure, symmetry mode analysis and second-harmonic generation measurements
• Authors of publication: Friese, Karen; Aroyo, Mois I.; Folcia, Cesar L.; Madariaga, Gotzon; Breczewski, Tomasz
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 142 - 150
• a: 10.565 ± 0.003 Å
• b: 6.4178 ± 0.0013 Å
• c: 8.039 ± 0.002 Å
• α: 90°
• β: 91.05 ± 0.04°
• γ: 90°
• Cell volume: 545 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.708
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No