THE ORIENTATIONAL CORRELATION PARAMETER AND THE DIPOLE-MOMENT OF A WATER MOLECULE IN ICE-VI

The orientational correlation tensor g on principal axes has been calculated for ice VI. The first and second neighbors and the closure of the four-membered rings were taken account of. The mean value is 2.40 and the square of the anisotropic invariant is only 0.001, so that the permittivity of ice VI is predicted to be isotropic within the uncertainty of the calculations. The dipole moment of a water molecule in the hypothetical fully disordered ice VI is 2.55 D if the internal field is the Lorentz field and is 3.12 D if it is the applied field. © 1980 American Institute of Physics.