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Mixing behavior of rare earth - alkali chlorides probed by XAFS and MD simulation

Okamoto, Yoshihiro ; Yaita, Tsuyoshi; Shiwaku, Hideaki  ; Matsuura, Haruaki*; Madden, P. A.*

Mixing behavior of rare earth trichlorides (RECl$$_3$$) with LiCl-KCl eutectic melt was studied by using an X-ray absorption fine structure (XAFS) and a molecular dynamics (MD) simulation techniques. We had confirmed that the local structure of pure RECl$$_3$$ melt changed corresponding to size of RE$$^{3+}$$ ion. On the other hand, it can be concluded that many mixtures show stabilized 6-fold coordination (RECl$$_6$$)$$^{3-}$$ structure in diluted compositions. It suggests that molten RECl$$_3$$ has a simular local structure in diluted composition.

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