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In order to investigate the species in the FLiNaK–CeF3 and FLiNaK–CeF3–Li2O melts, in situ high temperature Raman spectroscopy was used with the aid of density functional theory (DFT) calculation. In molten FLiNaK, the CeF63− octahedra affected by alkali cations were identified to be the predominan species. Binuclear cerium oxyfluoride anions Ce2OF84− and Ce2OF106− were formed after adding O2− into...
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