Information card for entry 2104965

Structure parameters

• Common name: mayenite
• Formula: Al14 Ca12 O33
• Calculated formula: Al14 Ca12 O33
• Title of publication: Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~
• Authors of publication: Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: 193 - 204
• a: 11.989 ± 0.003 Å
• b: 11.989 ± 0.003 Å
• c: 11.989 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.3 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.0161
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.67954 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes