Information card for entry 7245446

Structure parameters

• Formula: Al Na O7 P2
• Calculated formula: Al Na O7 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: 7.396 ± 0.0006 Å
• b: 9.7388 ± 0.0007 Å
• c: 8.2067 ± 0.0007 Å
• α: 90°
• β: 106.039 ± 0.009°
• γ: 90°
• Cell volume: 568.1 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No