Low temperature structural modification in Rb2ZrF6: Investigations by perturbed angular correlation spectroscopy

Temperature dependent perturbed angular correlation (PAC) measurements in crystalline compounds Rb2ZrF6 and Cs2HfF6 have been performed in the temperature range 298-753 K. In Rb2ZrF6, four discrete quadrupole interaction frequencies have been observed at room temperature which correspond to four minor structural modifications. From previous measurements, on the other hand, two structural modifications of this compound were known. A displacive phase transition, probably, occurs at low temperature due to rotation of the ZrF62− octahedron and produces different structural modifications. From present measurements in Rb2ZrF6, two quadrupole interaction frequencies [ωQ=26.1(3) Mrad/s, η=0.55(2), δ=5(1)% and ωQ=148.7(3) Mrad/s, η=0.538(5), δ=1.2%] have been found at room temperature which were not found from previous studies. In Cs2HfF6, these new structural modifications have not been observed.