Information card for entry 4106515

Structure parameters

• Formula: Na9 O36 P9 Ti6
• Calculated formula: Na8.8552 O36 P9 Ti6
• Title of publication: α-Na3M2(PO4)3 (M = Ti, Fe): Absolute Cationic Ordering in NASICON-Type Phases
• Authors of publication: Houria Kabbour; Daniel Coillot; Marie Colmont; Christian Masquelier; Olivier Mentré
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11900 - 11903
• a: 8.8623 ± 0.0006 Å
• b: 8.8693 ± 0.0005 Å
• c: 21.6431 ± 0.0013 Å
• α: 90.066 ± 0.003°
• β: 89.973 ± 0.003°
• γ: 119.982 ± 0.003°
• Cell volume: 1473.55 ± 0.16 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No