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The structural stability of ordered rocksalt structures with composition AMO 2 (A = alkali metal, M = transition metal) is investigated as a function of size and charge of the cations. Many of these materials are of interest for their applications as intercalation electrodes in rechargeable batteries. The ionic size and charge of the A and M cations are controlled by varying the cation-oxygen interaction parameters of a Buckingham interaction potential. Our calculations show that the α-LiFeO 2doi:10.1080/014186398259095 fatcat:dfcyewmu6bhyfj7dthwkp2g6je