Structural origin of ionic conductivity for Li7P3S11 metastable crystal by neutron and X-ray diffraction

Reverse Monte Carlo modeling was carried out for Li7P3S11 metastable crystal and (Li2S)70(P2S5)30 glass based on time-of-flight neutron and synchrotron X-ray diffraction data. Polyhedral analysis of three-dimensional structures for Li7P3S11 metastable crystal and (Li2S)70(P2S5)30 glass were gave us not only structural characteristics but also structural origins related to their high ionic conductivity.