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. 2019 Apr 10;7:210. doi: 10.3389/fchem.2019.00210

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