Information card for entry 4105913

Structure parameters

• Formula: H2 I2 K O9 V
• Calculated formula: H2 I2 K O9 V
• 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: 5.8083 ± 0.0014 Å
• b: 8.793 ± 0.002 Å
• c: 16.785 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 857.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No