Information card for entry 4003636

Structure parameters

• Formula: Cs F6 Ga3 O6 Se2
• Calculated formula: Cs F6 Ga3 O6 Se2
• Title of publication: AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses
• Authors of publication: Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 7.1876 ± 0.0005 Å
• b: 7.1876 ± 0.0005 Å
• c: 11.8681 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 530.98 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No