Information card for entry 1572535

Structure parameters

• Formula: B3 K3 La2 O9
• Calculated formula: B3 K3 La2 O9
• Title of publication: A-site cations manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates
• Authors of publication: Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 6.7996 ± 0.0013 Å
• b: 16.42 ± 0.003 Å
• c: 9.4868 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1059.2 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No