Abstract
The structures of fast ion conductors Cu 2Se, Cu 1.8Se and Cu 1.8S have been studied with the use of single crystal X-ray diffraction data. The compounds have cubic antifluorite structures, copper ions and distributed to the tetrahedral, trigonal and octahedral interstitials of the chalcogen atoms. In the refinement of the structures, the maximum entropy method (MEM) is used to construct the density map of the copper ions. The distribution of the copper ions is studied as a function of temperature. The diffusion path of the mobile copper ions is also discussed. The present method, MEM is found to have several advantages over the previous methods, such as the split atom, the anharmonic and the excluded volume models.
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