Information card for entry 7133994

Structure parameters

• Formula: Al2 B8 Ca3 O18
• Calculated formula: Al2 B8 Ca3 O18
• Title of publication: Ca3Al2B8O18: Borate with Graphene-like Layer Featuring Two Types of Topological Six-Membered Rings Induced by [AlO4] Unit
• Authors of publication: Yan, Ziting; Chu, Dongdong; Yang, Zhihua; Pan, Shilie; Zhang, Min
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 9.146 ± 0.003 Å
• b: 8.067 ± 0.002 Å
• c: 18.527 ± 0.005 Å
• α: 90°
• β: 90.903 ± 0.01°
• γ: 90°
• Cell volume: 1366.8 ± 0.7 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No