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Materials Data on KLi3 by Materials Project

KLi2Li is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four lithium molecules and one KLi2 framework. In the KLi2 framework, K is bonded in a body-centered cubic geometry to eight equivalent Li atoms. All K–Li bond lengths are 3.48 Å. Li is bonded to four equivalent K atoms to form a mixture of edge and corner-sharing LiK4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on K3Li by Materials Project

(K)3Li crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two lithium molecules and one K framework. In the K framework, there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight K atoms. There are four shorter (4.31 Å) and four longer (4.36 Å) K–K bond lengths. In the second K site, K is bonded in a 8-coordinate geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗

Materials Data on K3Li by Materials Project

(K)3Li is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one K framework. In the K framework, K is bonded in a 8-coordinate geometry to eight equivalent K atoms. All K–K bond lengths are 4.37 Å.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗

Materials Data on K3Li by Materials Project

(K)3Li is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four litio molecules and one K framework. In the K framework, there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K atoms to form a mixture of distorted edge and corner-sharing KK4 tetrahedra. All K–K bond lengths are 4.20 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗