Information card for entry 2022594

Structure parameters

• Common name: Sodium copper nickel phosphate
• Chemical name: Sodium copper nickel diorthophosphate
• Formula: Cu Na2 Ni O8 P2
• Calculated formula: Cu Na2 Ni O8 P2
• Title of publication: Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures
• Authors of publication: Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• a: 5.13 ± 0.0001 Å
• b: 8.6729 ± 0.0002 Å
• c: 6.8473 ± 0.0002 Å
• α: 90°
• β: 97.104 ± 0.003°
• γ: 90°
• Cell volume: 302.311 ± 0.013 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes