Information card for entry 2108539

Structure parameters

• Formula: Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86
• Calculated formula: Al9.107 Ca5.986 Fe30.693 Mg5.332 O72 Si0.86
• Title of publication: Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
• Authors of publication: Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 10.3279 ± 0.0002 Å
• b: 10.434 ± 0.0002 Å
• c: 14.3794 ± 0.0002 Å
• α: 93.4888 ± 0.0012°
• β: 107.321 ± 0.0014°
• γ: 109.663 ± 0.0014°
• Cell volume: 1370.49 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for significantly intense reflections: 1.82
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72931 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes