Information card for entry 2240754

Structure parameters

• Chemical name: Dibarium calcium iron(II) dialuminium tetradecafluoride
• Formula: Al2 Ba2 Ca1.31 F14 Fe0.69
• Calculated formula: Al2 Ba2 Ca1.31 F14 Fe0.69
• Title of publication: Crystal structure of the Fe-member of usovite
• Authors of publication: Weil, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 640 - 643
• a: 13.7387 ± 0.0012 Å
• b: 5.2701 ± 0.0005 Å
• c: 14.759 ± 0.003 Å
• α: 90°
• β: 92.074 ± 0.014°
• γ: 90°
• Cell volume: 1067.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes