Information card for entry 2310786

Structure parameters

• Formula: Al4.78 O9.61 Si1.22
• Calculated formula: Al4.76 O9.62 Si1.2
• Title of publication: The modulated average structure of mullite.
• Authors of publication: Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 358 - 368
• a: 7.5757 Å
• b: 7.6651 Å
• c: 2.885 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 167.528 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for significantly intense reflections: 2.68
• Goodness-of-fit parameter for all reflections included in the refinement: 2.68
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.0408 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No