Information card for entry 7130221

Structure parameters

• Formula: Cd1.62 I Mg0.38 O7 P
• Calculated formula: Cd1.623 I Mg0.377 O7 P
• Title of publication: Cd2(IO3)(PO4) and Cd1.62Mg0.38(IO3)(PO4): Metal iodate-phosphates with large SHG responses and wide band gaps
• Authors of publication: Chen, Qian-Qian; Hu, Chun-Li; Yao, Li-Jia; Chen, Jin; Cao, Ming-Yang; Li, Bing-Xuan; Mao, Jiang-Gao
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.3319 ± 0.0013 Å
• b: 12.2073 ± 0.0011 Å
• c: 12.2169 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2286.5 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No