Information card for entry 4510639

Structure parameters

• Common name: mayenite
• Formula: Al14 Ca12 O33
• Calculated formula: Al14.004 Ca11.994 O32.984
• Title of publication: Floating Zone Growth of Large and Defect-free Ca12Al14O33Single Crystals
• Authors of publication: Ebbinghaus, Stefan G.; Krause, Holger; Syrowatka, Frank
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2990
• a: 11.9883 ± 0.0004 Å
• b: 11.9883 ± 0.0004 Å
• c: 11.9883 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1722.95 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0263
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No