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In this work, a comprehensive research coupling experiment and computationhas been performed to understand the phase transition of Na3SbS4 and tosynthesize cubic Na3SbS4 (c-Na3SbS4), a high temperature phase of Na3SbS4 thatis difficult to be preserved from high temperature. The formation of c-Na3SbS4is verified by Rietveld refinement and electrochemical impedance spectroscopy.Both experiment and theoretical calculation reveal that the ionic conductivityof c-Na3SbS4 is higher than that of t-Na3SbS4, though the values are in thesame order of magnitude. Both structures allow fast ion transport.

Phase Transition of Na3SbS4 Superionic Conductor and Its Impact on Ion Transport