Information card for entry 3500014

Structure parameters

• Common name: Calcium dialuminate
• Chemical name: tetraaluminium calcium heptaoxide
• Mineral name: Grossite
• Formula: Al4 Ca O7
• Calculated formula: Al4 Ca O7
• SMILES: [Al+3].[Al+3].[Al+3].[Al+3].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• Title of publication: Average grossite crystal structure
• Authors of publication: Efremov, V. A.; Gutnikov, S. I.; Kartashov, A. A.; Lazoryak, B.I.
• Journal of publication: Personal communication to COD
• Year of publication: 2012
• a: 12.886 ± 0.006 Å
• b: 8.883 ± 0.0012 Å
• c: 5.4423 ± 0.0027 Å
• α: 90°
• β: 106.905 ± 0.006°
• γ: 90°
• Cell volume: 596 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No