Table 2. Coordination Statistics in Amorphous Al2O3 Models Herea.
| system | [2]O | [3]O | [4]O | [5]O | [3]Al | [4]Al | [5]Al | [6]Al |
|---|---|---|---|---|---|---|---|---|
| N = 5760 | 19.3 | 78.5 | 2.2 | 0 | 0.1 | 77.0 | 21.3 | 1.6 |
| N = 240 (avg) | 18.7 | 71.1 | 9.9 | 0.3 | 1.1 | 65.3 | 28.2 | 5.3 |
| N = 240 (I) | 22.1 | 68.7 | 9.2 | 0 | 1.0 | 71.2 | 23.8 | 4.0 |
| N = 240 (II) | 24.5 | 70.9 | 4.5 | 0 | 1.2 | 79.5 | 17.3 | 2.0 |
| N = 240 (III) | 15.2 | 72.7 | 11.8 | 0.3 | 0 | 60.9 | 32.3 | 6.8 |
| N = 240 (IV) | 23.7 | 67.6 | 8.7 | 0 | 3.3 | 69.4 | 24.1 | 3.2 |
| N = 240 (V) | 8.1 | 75.4 | 15.2 | 1.3 | 0.2 | 45.5 | 43.8 | 10.5 |
a
Values are percentages obtained using Rc = 2.2 Å, where [n]A is n-fold coordinated A (atom).