Information card for entry 4344870

Structure parameters

• Formula: Ca Cu2.79 Fe4.21 O12
• Calculated formula: Ca Cu2.79 Fe4.21 O12
• Title of publication: Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.
• Authors of publication: Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1715 - 1719
• a: 7.26256 ± 0.00007 Å
• b: 7.26256 ± 0.00007 Å
• c: 7.26256 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 383.062 ± 0.006 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 201
• Hermann-Mauguin space group symbol: P n -3 :2
• Hall space group symbol: -P 2ab 2bc 3
• Residual factor for all reflections: 0.01214
• RFsqd: 0.01214
• Residual factor R(I) for significantly intense reflections: 0.01661
• Goodness-of-fit parameter for all reflections: 0.9513
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.41981 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No