Information card for entry 4125056

Structure parameters

• Formula: Nd9.606 O25.924 Si6
• Calculated formula: Nd9.608 O25.924 Si6
• 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: 9.5507 Å
• b: 9.5507 Å
• c: 7.0155 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 554.191 ų
• Cell temperature: 573 K
• Ambient diffraction temperature: 573 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 2.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No