Information card for entry 4105915

Structure parameters

• Formula: I3 K O13 V2
• Calculated formula: I3 K O13 V2
• Title of publication: Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System
• Authors of publication: Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5561 - 5572
• a: 14.136 ± 0.003 Å
• b: 10.201 ± 0.0017 Å
• c: 8.0638 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No