New insights into the mechanism of cation migration induced by cation–anion dynamic coupling in superionic conductors

We analyze the relationship between cations and anion groups and take LiBF 4 /Li 2 BF 5 as an example. The smaller distance between Li atoms in Li 2 BF 5 indicates that it has little dependence on the rotation of anion groups while LiBF 4 needs a larger rotation angle.