Information card for entry 4107909

Structure parameters

• Formula: Ba1.62 Ca1.56 Fe5 Nd1.82 O13
• Calculated formula: Ba1.6232 Ca1.5581 Fe5 Nd1.8183 O13
• 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: 5.56049 ± 0.00005 Å
• b: 38.71093 ± 0.00031 Å
• c: 5.58134 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.39 ± 0.018 ų
• Number of distinct elements: 5
• Space group number: 46
• Hermann-Mauguin space group symbol: I 2 m b
• Hall space group symbol: I -2b 2
• RFsqd: 0.05176
• Goodness-of-fit parameter for all reflections: 2.56
• 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