A study was made of diffusion, in crystalline samples, by using a simplified model in which the C60 molecules were fixed at their equilibrium positions. It was found that the jump frequencies of O2 molecules between octahedral sites of the cubic structures, as a function of the molecular energy, obeyed a simple potential. Calculations were made of the diffusion coefficient for various values of the lattice parameter, and estimates were made of the effect of orientational disorder of the host lattice.
E.Halac, E.Burgos, H.Bonadeo: Physical Review B, 1995, 52[7], 4764-7