Lithium sulfides have potential use in lithium battery development due to their high lithium ion conductivity, yet few have been synthesized and characterized.  Li4GeS4 and Li4SnS4 were synthesized using polychalcogenide flux and/or high temperature solid state methods.  The new compound, Li4SnS4, is isostructural with the germanium analog, which has been previously published with a = 14.305(4) �, b = 7.899(2) �, c = 6.328(2) �, R1 = 0.0136 and wR2 = 0.0320 (for all data).  The compounds crystallize in the orthorhombic space group Pnma with a structure related to ?-Li3PO4 and Li3PS4.  Rietveld refinement of x-ray powder diffraction data of Li4GeS4 showed a phase pure material with a ?2 of 5.656 and a Rp of 0.0771.  The optical band gaps of Li4GeS4 and Li4SnS4 are 4.13 eV and 3.54 eV, respectively.  Differential thermal analysis showed that Li4GeS4 and Li4SnS4 are thermally stable until approximately 850 oC and 920 oC, respectively.

Crystal structure, optical band gap, and thermal analysis of thio-lithium super ionic conductors

243rd National Meeting (2012)

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