Atomic-scale mechanistic features of oxide ion conduction in apatite-type germanates

Atomistic modelling studies of the apatite-type oxide ion conductor La-9.33(GeO4)(6)O-2 show that a key role of the O4 channel oxygen atoms appears to be as a reservoir for the creation of interstitial oxide ion defects, while the migration of these defects proceeds via the GeO4 tetrahedra.