The charge densities in ReO 3 were investigated by the X-ray structural analysis. The anisotropic charge distributions were found around a Re atom, which is attributable to the pi bond formed by Re 5d (t 2g ) and O 2p electrons. The calculated difference electron density map by the DV-X alpha cluster method supports qualitatively the present observation. The measured thermal vibrations of oxygen atoms were highly anisotropic. The M-mode oxygen displacements will be readily enhanced by the existence of high pressures.
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Morinaga et al. (1983) studied this question.
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