or in the case of Squires et al.: [V Li +V Cl +O Cl ] (under Li-rich conditions). . Contrary to Squires et al., however, in this work, both antisite defects, O Cl and Cl O , whilst forming in modest quantities, (∼ 10 12 -10 13 cm -3 ) are not expected to dominate the defect landscape of Li 3 OCl. It is important to note that, O Cl does increase to concentrations ≥ 10 16 cm -3 upon H-doping, as seen in Figure (c) simultaneously reducing [V O ], thus it could be said that the modified Schottky defect as calculated by Squires et al. is somewhat valid. The fully Schottky defect calculated in this work is interesting in that V Cl and V O exist in the neutral (q=0) and partially ionised (q=1+) charge states respectively. Charge neutrality of the defect cluster is consequently caused by V Li and V O and can be defined in Kröger-Vink form as: