Information card for entry 4002606

Structure parameters

• Formula: Ba Co2 Gd O5.389
• Calculated formula: Ba Co2 Gd O5.3889
• Title of publication: Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures
• Authors of publication: Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Pages of publication: 141114094038007
• a: 3.8741 ± 0.0002 Å
• b: 7.838 ± 0.0004 Å
• c: 7.5621 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 229.62 ± 0.02 ų
• Cell temperature: 409 K
• Ambient diffraction temperature: 409 K
• Number of distinct elements: 4
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for significantly intense reflections: 3.01
• Goodness-of-fit parameter for all reflections included in the refinement: 2.77
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No