Structure and dynamic properties on molten cuprous halides

Neutron and X-ray diffraction measurements have been carried out for molten CuI at 650 degrees C. Both structure factors have been obtained in the wavenumber region beyond 20 angstrom(-1). The three partial structure factors and partial correlation functions have been derived from them with the aid of Reverse Monte Carlo analysis. The Cu-Cu correlation function has the first peak at 2.7 angstrom penetrating into the first coordination shell of Cu-I correlation and a structureless tail, while the I-I correlation exibits long-range oscillations behind the first peak located around 4.35 angstrom. The atomic arrangements for molten CuI are visualized in the figures. (c) 2006 Elsevier B.V. All rights reserved.