Information card for entry 4337410

Structure parameters

• Formula: H2 I3 O9 Rb
• Calculated formula: H2 I3 O9 Rb
• Title of publication: Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O).
• Authors of publication: Xu, Xiang; Yang, Bing-Ping; Huang, Chao; Mao, Jiang-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1756 - 1763
• a: 7.4936 ± 0.0004 Å
• b: 7.5769 ± 0.0003 Å
• c: 8.2308 ± 0.0004 Å
• α: 77.881 ± 0.004°
• β: 84.744 ± 0.004°
• γ: 82.716 ± 0.004°
• Cell volume: 452.21 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No