Information card for entry 4107910

Structure parameters

• Formula: Ba0.41 Ca0.39 Fe1.25 Nd0.45 O3.25
• Calculated formula: Ba0.4058 Ca0.389525 Fe1.25 Nd0.454575 O3.25
• Title of publication: Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments
• Authors of publication: Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7570 - 7583
• a: 5.56053 ± 0.00006 Å
• b: 38.7107 ± 0.0004 Å
• c: 5.58133 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.39 ± 0.02 ų
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• RFsqd: 0.05181
• Goodness-of-fit parameter for all reflections: 2.63
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes