Partial structural functions of molten copper halides CuX (X = Br, I) estimated from the anomalous x-ray scattering measurements

Abstract

The three partial structural functions of molten copper halides CuX (X = Br, I) have been estimated from anomalous x-ray scattering (AXS) measurements coupled with the reverse Monte Carlo (RMC) simulation technique. For both cases of molten CuBr and CuI, the Cu-Cu partial structure factor of aCuCu(Q) was found to be rather structureless and the closest Cu-Cu distance was significantly smaller than that for X-X, indicating like-ion penetration into the first unlike-ion coordination shell, similar to the molten CuCl case. We then suggest a disordered close packing of anions where Cu ions meander so as to take a strongly disordered distribution by penetrating through the tetrahedral holes.