Information card for entry 4003666

Structure parameters

• Formula: Bi2 F2 K2 O9 Se3
• Calculated formula: Bi2 F2 K2 O9 Se3
• Title of publication: A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps
• Authors of publication: Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 12.8396 ± 0.0005 Å
• b: 5.8831 ± 0.0003 Å
• c: 7.6506 ± 0.0003 Å
• α: 90°
• β: 93.076 ± 0.003°
• γ: 90°
• Cell volume: 577.07 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No