“…Three structurally distinguishable water molecules, (i) coordinated water molecules which are coordinated at A octahedra at 24e (x, 0, 0) site, (ii) non-coordinated water molecules connected by hydrogen bonds to the coordinated ones in the spherical cavity of [B(CN) 6 ] at 32 f (x, x, x) site, and (iii) non-coordinated water at 8c (1/4, 1/4, 1/4) site of unit cell octants are found in these compounds. The structures of these compounds have been very well studied using x-ray as well as neutron diffraction techniques [3,4]. Since water plays a crucial role towards the multifunctional properties of PBA compounds, it is of interest to study their dynamical behaviour.…”