Information card for entry 4345403

Structure parameters

• Common name: iodide iodate
• Formula: Ag4 Bi3 I13 O36
• Calculated formula: Ag4 Bi3 I13 O36
• Title of publication: Iodide-Iodates M3[IO3]12·Ag4I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response.
• Authors of publication: Belokoneva, Elena L.; Stefanovich, Sergey Yu; Dimitrova, Olga V.; Karamysheva, Alina S.; Volkov, Anatoly S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1186 - 1192
• a: 21.95 ± 0.0003 Å
• b: 21.95 ± 0.0003 Å
• c: 13.442 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5608.72 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No