Information card for entry 7706271

Structure parameters

• Formula: Bi4 I6 O24 Se
• Calculated formula: Bi4 I6 O24 Se
• Title of publication: Bi₄O(I₃O₁₀)(IO₃)₃(SeO₄): trimeric condensation of IO₄^3- monomers into the I₃O₁₀^5- polymeric anion observed in a three-component mixed-anion NLO material.
• Authors of publication: Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15597 - 15601
• a: 9.568 Å
• b: 9.568 Å
• c: 37.542 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2976.39 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: 0.052
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No