Information card for entry 1000017

Structure parameters

• Chemical name: Aluminium oxide
• Mineral name: Corundum
• Formula: Al2 O3
• Calculated formula: Al2 O3
• SMILES: [Al+3].[Al+3].[O-2].[O-2].[O-2]
• Title of publication: Ruby structure peculiarities derived from X-ray data. Localization of chromium atoms and electron deformation density
• Authors of publication: Tsirelson, V G; Antipin, M Y; Gerr, R G; Ozerov, R P; Struchkov, Y T
• Journal of publication: Physica Status Solidi, Sectio A: Applied Research
• Year of publication: 1985
• Journal volume: 87
• Pages of publication: 425 - 433
• a: 4.7606 ± 0.0005 Å
• b: 4.7606 ± 0.0005 Å
• c: 12.994 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 255 ų
• Number of distinct elements: 2
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.063
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No