Information card for entry 4002085

Structure parameters

• Formula: Ca2 Co2 O5
• Calculated formula: Ca2 Co2 O5
• Title of publication: Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions
• Authors of publication: Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 7172
• a: 5.3028 ± 0.0001 Å
• b: 14.7838 ± 0.0003 Å
• c: 10.981 ± 0.0002 Å
• α: 90°
• β: 90.173 ± 0.001°
• γ: 90°
• Cell volume: 860.86 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No