Information card for entry 4125060

Structure parameters

• Formula: Al Nd9.906 O26 Si5
• Calculated formula: Al0.9996 Nd9.908 O26 Si5.0004
• 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: 9.553 Å
• b: 9.553 Å
• c: 7.0496 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 557.153 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: 0.0605
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for significantly intense reflections: 2.32
• Goodness-of-fit parameter for all reflections included in the refinement: 2.17
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No