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DOE OSTI · 1205297

Materials Data on LiHS by Materials Project

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Abstract

LiSH crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded to four Li1+ and one H1+ atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.

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36 MATERIALS SCIENCEcrystal structureH-Li-SLiHS

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2020-05-09. Materials Data on LiHS by Materials Project. https://doi.org/10.17188/1205297

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