Information card for entry 4107911

Structure parameters

• Formula: Ba Ca Fe3 Nd O8
• Calculated formula: Ba Ca1.0004 Fe3 Nd0.9999 O8
• 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: 5.52075 ± 0.00005 Å
• b: 11.68876 ± 0.00013 Å
• c: 5.60301 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 361.566 ± 0.006 ų
• Number of distinct elements: 5
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Goodness-of-fit parameter for all reflections: 1.11
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes