Information card for entry 1000317

Structure parameters

• Chemical name: Neodymium nickel(III) oxide
• Formula: Nd Ni O3
• Calculated formula: Nd Ni O3
• Title of publication: Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition
• Authors of publication: García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.
• Journal of publication: Physical Review B: Condensed Matter and Materials Physics
• Year of publication: 1992
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 4414 - 4425
• a: 5.3879 ± 0.0004 Å
• b: 5.3797 ± 0.0003 Å
• c: 7.6058 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 220.5 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.068
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No