Information card for entry 4315505

Structure parameters

• Formula: Co H4 I4 K2 O14
• Calculated formula: Co H4 I4 K2 O14
• Title of publication: Explorations of New Second-Order Nonlinear Optical Materials in the KI-MII-IV-O Systems
• Authors of publication: Pei-Xin Li; Chun-Li Hu; Xiang Xu; Rui-Yao Wang; Chuan-Fu Sun; Jiang-Gao Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4599 - 4605
• a: 8.285 ± 0.007 Å
• b: 7.738 ± 0.003 Å
• c: 11.043 ± 0.006 Å
• α: 90°
• β: 90.06 ± 0.05°
• γ: 90°
• Cell volume: 708 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No