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Synthesis, Structural Characterization, and Lithium Ion Conductivity of the Lithium Thiophosphate Li2P2S6

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journal contribution
posted on 09.05.2017, 18:08 by Christian Dietrich, Dominik A. Weber, Sean Culver, Anatoliy Senyshyn, Stefan J. Sedlmaier, Sylvio Indris, Jürgen Janek, Wolfgang G. Zeier
Inspired by the ongoing search for new superionic lithium thiophosphates for use in solid-state batteries, we present the synthesis and structural characterization of Li2P2S6, a novel crystalline lithium thiophosphate. Whereas M2P2S6 with the different alkaline elements (M = Na, K, Rb, Cs) is known, the lithium counterpart has not been reported yet. Herein, we present a combination of synchrotron pair distribution function analysis and neutron powder diffraction to elucidate the crystal structure and possible Li+ diffusion pathways of Li2P2S6. Additionally, impedance spectroscopy is used to evaluate its ionic conductivity. We show that Li2P2S6 possesses P2S62– polyhedral units with edge-sharing PS4 tetrahedra and only one-dimensional diffusion pathways with localized Li–Li pairs, leading to a low ionic conductivity for lithium.

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