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The high-pressure behaviour of cubic KPF 6  up to 0.40 GPa was studied using single crystal-diffraction techniques. The crystal structures at ambient conditions and at 0.15 GPa were investigated using maximum-entropy and Fourier methods. Even under pressure the PF 6  octahedra are highly disordered but the electron-density distribution differs from that at ambient conditons. The cubic phase of KPF 6  is highly compressible: The lattice parameter varies from  a  = 7.7813(3) Å at normal pressure to  a  = 7.7144(5) Å at 0.40 GPa. Whereas powder samples already transform at about 0.1 to 0.2 GPa into the highpressure phase KPF 6 , II, the transition pressure for single crystals is higher. The transition pressure depends not only on the crystal size but also on the crystal quality, and also time may play a role.

The high-pressure behaviour of the cubic phase of KPF 6 – An X-ray single-crystal and entropy-maximization study