Materials Data on KLiS by Materials Project
KLiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are four shorter (3.25 Å) and one longer (3.32 Å) K–S bond lengths. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.54 Å. S2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.
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