Materials Data on NaLiS by Materials Project
NaLiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are one shorter (2.83 Å) and four longer (2.99 Å) Na–S bond lengths. 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 2.47 Å. S2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Li1+ atoms.
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