Information card for entry 4324224

Structure parameters

• Common name: neptunium copper oxyphosphide
• Chemical name: 'copper neptunium oxide phosphide
• Formula: Cu Np O P
• Calculated formula: Cu Np O P
• Title of publication: Structure, Properties, and Theoretical Electronic Structure of UCuOP and NpCuOP
• Authors of publication: Daniel M. Wells; Emilie Ringe; D. Kaczorowski; D. Gnida; G. André; Richard G. Haire; Donald E. Ellis; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 576 - 589
• a: 3.7731 ± 0.0004 Å
• b: 3.7731 ± 0.0004 Å
• c: 8.1888 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 116.58 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No