Information card for entry 4001765

Structure parameters

• Formula: Al0.5 Nd9.508 O26 Si5.5
• Calculated formula: Al0.5004 Nd9.508 O26 Si5.4996
• Title of publication: Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes
• Authors of publication: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1109
• a: 9.5516 ± 0.0002 Å
• b: 9.5516 ± 0.0002 Å
• c: 7.0288 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 555.35 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0233
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for significantly intense reflections: 2.32
• Goodness-of-fit parameter for all reflections included in the refinement: 2.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No