Information card for entry 2108540

Structure parameters

• Formula: Al18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72
• Calculated formula: Al18.24 Ca11.96 Fe61.388 Mg10.676 O144 Si1.72
• 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: 10.3277 ± 0.0002 Å
• b: 27.0134 ± 0.0004 Å
• c: 10.4344 ± 0.0002 Å
• α: 90°
• β: 109.668 ± 0.002°
• γ: 90°
• Cell volume: 2741.22 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• 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: No