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DOE OSTI2020

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↗

DOE OSTI2020

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↗

DOE OSTI2020

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↗