Materials Data on KLi3 by Materials Project
KLi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing KLi12 cuboctahedra. There are four shorter (3.46 Å) and eight longer (3.60 Å) K–Li bond lengths. There are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent K atoms. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent K atoms.
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