Information card for entry 7245445

Structure parameters

• Formula: Al Li3 O9.5 P2
• Calculated formula: Al Li3 O9.5 P2
• Title of publication: Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures
• Authors of publication: Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.9897 ± 0.0003 Å
• b: 10.9897 ± 0.0003 Å
• c: 5.9946 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 723.99 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No