Information card for entry 4002621

Structure parameters

• Formula: Ba Co2 Gd O5.389
• Calculated formula: Ba Co2 Gd O5.389
• 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: 3.8957 ± 0.0001 Å
• b: 3.8957 ± 0.0001 Å
• c: 7.5397 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 114.426 ± 0.004 ų
• Cell temperature: 368 K
• Ambient diffraction temperature: 368 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 2.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.82
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No