Table 1.
Stoichiometric formula and resulting charge for the considered defect models.
| #Defect | Model stoichiometry | Net charge |
|---|---|---|
| D1 | (Al2SiO7H4)71SiAlO7H7 | 0 |
| D2 | (Al2SiO7H4)71Si2AlO8H5 | 0 |
| D3 | (Al2SiO7H4)71SiO5H2 | −4 |
| D4 | (Al2SiO7H4)71Si2O7H4 | −2 |
| D5 | (Al2SiO7H4)71SiO6H4 | −4 |
| h-D3 | (Al2SiO7H4)71SiO5H6 | 0 |
| h-D4 | (Al2SiO7H4)71Si2O7H6 | 0 |
| h-D5 | (Al2SiO7H4)71SiO6H8 | 0 |