Information card for entry 4125061

Structure parameters

• Formula: Al0.5 Nd9.652 O26 Si5.5
• Calculated formula: Al0.4998 Nd9.652 O26 Si5.5002
• Title of publication: Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.
• Authors of publication: An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4468 - 4483
• a: 9.5515 Å
• b: 9.5515 Å
• c: 7.042 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 556.378 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No