Information card for entry 7250317

Structure parameters

• Formula: Al3.43 Na8.72 Ni2.58 O32 P8
• Calculated formula: Al3.42 Na8.72 Ni2.58 O32 P8
• Title of publication: Na4.3Ni1.3Al1.7(PO4)4 structure transformation from stuffed α-CrPO4 type driven by the incorporation of Na: magnetism and ionic migration
• Authors of publication: Yakubovich, Olga; Kiriukhina, Galina; Manokhina, Elizaveta; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3576 - 3583
• a: 6.3892 ± 0.0004 Å
• b: 19.6003 ± 0.0015 Å
• c: 10.357 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1297.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No