“…† The ECN in the present case, could act as a descriptor of the octahedral deformation throughout the phase change process, since it has been proven previously that the ECN Pb av reects the octahedral deformation. 25,50,54 We have plotted the ECN Pb av and, as mentioned in Fig. 4 and in Section 2.2, there are two types of Pb atoms within each TS: those who remained xed and those who had constrained degrees of freedom within the structure throughout the Cub / Hex-PT (for which we calculated ECN Pb-x.…”