Information card for entry 4304574

Structure parameters

• Formula: Al28 Ca24 O66
• Calculated formula: Al27.8416 Ca23.928 O66.136
• Title of publication: Structure and Electrons in Mayenite Electrides
• Authors of publication: Luis Palacios; Aurelio Cabeza; Sebastián Bruque; Santiago García-Granda; Miguel A. G. Aranda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2661 - 2667
• a: 11.9711 ± 0.0001 Å
• b: 11.9711 ± 0.0001 Å
• c: 11.9711 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.55 ± 0.02 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.72443 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No