Information card for entry 4126815

Structure parameters

• Formula: B15 Ca K7 O30 Y2
• Calculated formula: B15 Ca K7 O30 Y2
• 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: 13.2182 ± 0.0018 Å
• b: 13.2182 ± 0.0018 Å
• c: 14.949 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2262 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No