Information card for entry 4003213

Structure parameters

• Formula: C Cd F K O3
• Calculated formula: C Cd F K O3
• 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: 5.1349 ± 0.0013 Å
• b: 5.1349 ± 0.0013 Å
• c: 8.846 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 202 ± 0.12 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: 0.0105
• Residual factor for significantly intense reflections: 0.0104
• Weighted residual factors for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No