List Al-Perovskite
General Information
Chemical formula: Al2O3Number of formula in unit cell: 4
Space group: #62, Pbnm
Lattice parameters:
| a (Å) | b (Å) | c (Å) | α (°) | β (°) | γ (°) | volume (Å3) |
|---|---|---|---|---|---|---|
| 8.946 | 9.19 | 13.661 | 90 | 90 | 90 |
Atom Coordinates
Inequivalent atomic positions
| Atom | x | y | z | site |
|---|---|---|---|---|
| Al1 | 0.510000 | 0.549000 | 0.250000 | - |
| Al2 | 0.500000 | 0.000000 | 0.000000 | - |
| O1 | 0.142000 | 0.412000 | 0.250000 | - |
| O2 | 0.173000 | 0.176000 | 0.575000 | - |
3D Interactive Structure
Structure source: Al-Perovskite
Input download
No available atom coordinates input card. Please contact admin.Reference
K. Thomson, R. M. Wentzcovitch, and M. S. T. Bukowinski, Polymorphs of alumina predicted by first principles: putting pressure on the ruby pressure scale , Science (1996) https://doi.org/10.1126/science.274.5294.1880