Information card for entry 2101671

Structure parameters

• Formula: Al2 O5 Si
• Calculated formula: Al2 O5 Si
• Title of publication: Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al~2~OSiO~4~ Polymorphs
• Authors of publication: Pilati, T.; Demartin, F.; Gramaccioli, C. M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 82 - 94
• a: 7.7992 ± 0.0006 Å
• b: 7.905 ± 0.0006 Å
• c: 5.5591 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 342.73 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.018
• Goodness-of-fit parameter for significantly intense reflections: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No