Structural investigation on lead fluoride–lithium fluoride at various compositions and temperatures

Local structure around lead ion of molten PbF 2 -LiF system at various compositions (x PbF2 = 0.2, 0.4, 0.6, 0.8 and 1.0) were investigated by extended X-ray absorption fine structure (EXAFS) analysis, and composition dependence of the local structure was revealed. Coordination number and inter-ionic distance between 1st neighboring Pb 2+ -F - show similar to each other except at eutectic composition. In addition, structural change observed in EXAFS signals of pure PbF 2 is reproduced by molecular dynamics simulation with polarization ion model.