Information card for entry 1560936

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: 8.752 ± 0.004 Å
• b: 8.983 ± 0.004 Å
• c: 13.019 ± 0.006 Å
• α: 90°
• β: 90.646 ± 0.006°
• γ: 90°
• Cell volume: 1023.5 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes