Information card for entry 2311931

Structure parameters

• Chemical name: Sodium calcium trinickel aluminium triarsenate
• Formula: Al0.46 As3 Ca0.77 Na Ni2.54 O12
• Calculated formula: Al0.457 As3 Ca0.774 Na Ni2.543 O12
• Title of publication: An arsenate with the α-CrPO₄ structure type, NaCa_1-xNi_3-2xAl_2x(AsO₄)₃ (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.
• Authors of publication: Ben Smail, Ridha; Zid, Mohamed Faouzi
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 896 - 904
• a: 10.419 ± 0.002 Å
• b: 13.496 ± 0.002 Å
• c: 6.669 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 937.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0579
• 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: No