Information card for entry 4341424

Structure parameters

• Formula: C0.33 Al O3.66 Y
• Calculated formula: C0.34 Al0.99999 O3.68 Y
• Title of publication: True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3.
• Authors of publication: Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 837 - 844
• a: 3.7076 ± 0.0001 Å
• b: 3.7076 ± 0.0001 Å
• c: 10.552 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 125.618 ± 0.013 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.552
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5402 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No