Intermolecular Potential for Carbon Tetrafluoride

Abstract An attempt has been made to give a more realistic molecular potential for carbon tetrafluoride by using published X-ray diffraction data for α-CF4. It was found that an addition of anisotropic Lennard-Jones potentials between nonbonded atoms is preferable for molecular interactions in crystal. The values of the potential parameters are evaluated and give a reasonable interpretation of the temperature dependence of the lattice parameters.