Information card for entry 4126814

Structure parameters

• Formula: B15 K7.5 O30 Y2.5
• Calculated formula: B15 K7.5 O30 Y2.5
• Title of publication: Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.
• Authors of publication: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.142 ± 0.002 Å
• b: 13.142 ± 0.002 Å
• c: 15.099 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2258.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No