Information card for entry 4003214

Structure parameters

• Formula: C Cd F O3 Rb
• Calculated formula: C Cd F O3 Rb
• Title of publication: Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series
• Authors of publication: Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 7520
• a: 5.2109 ± 0.0007 Å
• b: 5.2109 ± 0.0007 Å
• c: 9.0645 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 213.16 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.0128
• Residual factor for significantly intense reflections: 0.0116
• Weighted residual factors for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No