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 |