Information card for entry 1560981

Structure parameters

• Formula: Nd O14 P5
• Calculated formula: Nd O14 P5
• Title of publication: Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14
• Authors of publication: Cramer, Alisha J.; Cole, Jacqueline M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 266
• Pages of publication: 250 - 257
• a: 8.758 ± 0.015 Å
• b: 8.976 ± 0.017 Å
• c: 12.98 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1020 ± 3 ų
• Cell temperature: 450 ± 2 K
• Ambient diffraction temperature: 450 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes