Information card for entry 1545626

Structure parameters

• Formula: Al Ca0.33 F5 Sr0.67
• Calculated formula: Al Ca0.325 F5 Sr0.675
• Title of publication: New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)
• Authors of publication: Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel
• Journal of publication: Solid State Sciences
• Year of publication: 2001
• Journal volume: 3
• Pages of publication: 441 - 453
• a: 19.7345 ± 0.0003 Å
• b: 19.7345 ± 0.0003 Å
• c: 14.1982 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5529.5 ± 0.14 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No