Abstract
The behavior of LuLiF4 sheelite (I41/a, Z = 4) under hydrostatic pressure was investigated by means of the first principles calculations. The ferroelastic phase transition from the tetragonal structure of LuLiF4 to fergusonite structure (C12/c1, Z = 4) has been found at 10.5 GPa. It has been determined that this is the second order phase transition.
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