Information card for entry 7044319

Structure parameters

• Formula: B Ca O4 Sc
• Calculated formula: B Ca O4 Sc
• Title of publication: ScMO(BO3) (M = Ca, Cd)：New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges
• Authors of publication: Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.283 ± 0.004 Å
• b: 3.3636 ± 0.0013 Å
• c: 9.432 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 326.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No