3D electron diffraction studies of synthetic rhabdophane (DyPO·nHO).

In this study, we report the results of continuous rotation electron diffraction studies of single DyPO·nHO (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P321) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.