Information card for entry 4345537

Structure parameters

• Common name: thorium iodate-selenite
• Formula: I4 O18 Se2 Th2
• Calculated formula: I3.998 O18 Se2.002 Th2
• Title of publication: Substitutional Disorder of SeO32‒/IO3‒ in the Crystalline Solid Matrix: Insights into the Fate of Radionuclides 79Se and 129I in the Environment
• Authors of publication: Wang, Yaxing; Wang, Yumin; Zhang, Linjuan; Chen, Lanhua; Liu, Zhiyong; Yin, Xuemiao; Sheng, Daopeng; Diwu, Juan; Wang, Jianqiang; Liu, Ning; Chai, Zhifang; Wang, Shuao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 7.0984 ± 0.001 Å
• b: 8.6077 ± 0.0012 Å
• c: 13.3505 ± 0.0018 Å
• α: 90°
• β: 99.001 ± 0.004°
• γ: 90°
• Cell volume: 805.68 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No