Information card for entry 1549601

Structure parameters

• Common name: Mullite
• Formula: Al4.853 O9.574 Si1.147
• Calculated formula: Al4.8528 O9.5728 Si1.1472
• Title of publication: Exploiting superspace to clarify vacancy and Al/Si ordering in mullite
• Authors of publication: Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 4
• a: 7.577 ± 0.002 Å
• b: 7.6738 ± 0.0019 Å
• c: 2.8823 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 167.59 ± 0.08 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: 0.031
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7231 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No