Information card for entry 4000920

Structure parameters

• Formula: Ca2 Co Fe O5
• Calculated formula: Ca2 Co Fe O5
• Title of publication: Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5
• Authors of publication: Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.; Britten, James F.; Cranswick, Lachlan M. D.; Garlea, V. Ovidiu
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 21
• Pages of publication: 6008
• a: 5.3675 ± 0.0001 Å
• b: 11.1072 ± 0.0003 Å
• c: 14.7787 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 881.07 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No