Materials Data on KLiSe by Materials Project
KLiSe 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 Se2- atoms. There are four shorter (3.38 Å) and one longer (3.44 Å) K–Se bond lengths. Li1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. All Li–Se bond lengths are 2.67 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.
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