Information card for entry 4002083

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: 5.3038 ± 0.0001 Å
• b: 14.7518 ± 0.0002 Å
• c: 10.9877 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 859.68 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P c m b
• Hall space group symbol: -P 2bc 2c
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No