Synthesis, structure, physicochemical characterization and electronic structure of thio-lithium super ionic conductors, Li4GeS4 and Li4SnS4.

Highlights: [•] The title compounds were prepared by a high-temperature, direct-combination route. [•] The room temperature structure of Li4SnS4 is reported in space group Pnma. [•] The Li(2)S4 tetrahedra invert upon going from the RT to low temperature structure. [•] Electronic structure calculations indicate the Li–S bonding to be primarily ionic. [•] Li4GeS4 and Li4SnS4 have shown to be stable up to ∼850 and 950°C respectively. [ABSTRACT FROM AUTHOR]