A study was made of the diffusion of O2 in crystalline C60 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, followed a simple potential law.

Oxygen Diffusion in Solid C60: a Molecular-Dynamics Calculation. Halac, E., Burgos, E., Bonadeo, H.: Physical Review B, 1995, 52[7], 4764-7