Information card for entry 7061574

Structure parameters

• Formula: Ba H I3 O9
• Calculated formula: Ba H I3 O9
• Title of publication: BaI3O9H: a new alkaline-earth metal hydroxy iodate with two groups
• Authors of publication: Ma, Wenjuan; Huang, Jianlong; Dai, Bin; Yu, Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 12482 - 12487
• a: 7.777 ± 0.003 Å
• b: 8 ± 0.003 Å
• c: 13.79 ± 0.005 Å
• α: 90°
• β: 92.803 ± 0.004°
• γ: 90°
• Cell volume: 856.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No