Information card for entry 2105046

Structure parameters

• Formula: Ca4 Fe2 Mn0.5 O9 Ti0.5
• Calculated formula: Ca4 Fe2.498 O9 Ti0.502
• Title of publication: Stacking faults and superstructures in a layered brownmillerite
• Authors of publication: Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: 476 - 485
• a: 5.351 ± 0.0006 Å
• b: 26.669 ± 0.003 Å
• c: 5.4914 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 783.65 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: A m m a
• Hall space group symbol: -A 2a 2a
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 2.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes