Information card for entry 4104387

Structure parameters

• Formula: I6 O18 Rb2 Ti
• Calculated formula: I6 O18 Rb2 Ti
• SMILES: [Rb+].[Ti](O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O.[Rb+]
• Title of publication: Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)
• Authors of publication: Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6865 - 6873
• a: 11.3757 ± 0.0016 Å
• b: 11.3757 ± 0.0016 Å
• c: 11.426 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1280.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No