Quantifying Anion Ordering in Post-Synthesis Treatment Processes using Neutron Diffraction and PDF

Sulphide superionic materials are candidate electrolytes for all-solid-state batteries. Neutron diffraction and PDF are sought to elucidate the difference in anion disorder and the anion-cation distance between three Li6PS5Cl electrolytes prepared by different methods; a standard cold pressed electrolyte, a heat-treated electrolyte and a spark plasma sintered version. The ionic conductivity of the heat treated and plasma sintered Li6PS5Cl samples are substantially greater than that of the commercial cold pressed material. Complementary 7Li, 33S and 31P NMR studies and x-ray PDF data suggest both cation and anion ordering are the origin of this phenomenon. However, structural information could not be elucidated from these methods, hence neutron diffraction and PDF is requested.