The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction

The structure of molten CuCl, CuI and their mixtures (CuCl)(x)(CuI)(1-x) with x = 0.294, 0.576, 0.801 was studied by using neutron diffraction. The results are discussed by reference to the information that is available on the structure of CuCl and CuI from experiment, theory and computer simulation. The comparison points to a need for more realistic models for the CuCl-CuI system which should take into account the presence of chemical bonds that have been found in CuI by the application of ab initio molecular dynamics methods.