The structure of molten LiCl

Neutron diffraction data on molten LiCl (with isotopic chlorine substitution) have been analysed using the reverse Monte Carlo method. In this way it was possible to derive independent partial structure factors and radial distribution functions, where previous attempts at conventional analysis had failed. The underlying symmetry in the first Li + -Cl - coordination shell is found to be octahedral, as it is in the crystal, rather than tetrahedral as found in rigid-ion computer simulations. It is suggested that this may be due to the polarising effect of the small Li + cation on the large Cl - anion.