Information card for entry 4003949

Structure parameters

• Formula: Ce4 N6.04 Nb3.9 O5.96
• Calculated formula: Ce3.99968 N6.04 Nb3.9 O5.96
• Title of publication: Partially Anion-Ordered Cerium Niobium Oxynitride Perovskite Phase with a Small Band Gap
• Authors of publication: Shen, Zonghao; Wu, Ji; Shorvon, Matthew W.; Cazaux, Guillaume; Parker, Stephen C.; Skinner, Stephen J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 5.7137 ± 0.0005 Å
• b: 8.0567 ± 0.0005 Å
• c: 5.7209 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 263.35 ± 0.04 ų
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Goodness-of-fit parameter for all reflections: 1.47
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No