Information card for entry 4315506

Structure parameters

• Formula: H4 I4 K2 O14 Zn
• Calculated formula: H4 I4 K2 O14 Zn
• 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: 8.289 ± 0.004 Å
• b: 7.733 ± 0.008 Å
• c: 11.08 ± 0.012 Å
• α: 90°
• β: 90.12 ± 0.03°
• γ: 90°
• Cell volume: 710.2 ± 1.1 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: 0.02
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No