Materials Data on LiSnB by Materials Project
LiBSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent B3- atoms to form LiB4 tetrahedra that share corners with four equivalent SnB4 tetrahedra, corners with twelve equivalent LiB4 tetrahedra, and edges with six equivalent SnB4 tetrahedra. All Li–B bond lengths are 2.41 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Sn2+ atoms. All B–Sn bond lengths are 2.41 Å. Sn2+ is bonded to four equivalent B3- atoms to form SnB4 tetrahedra that share corners with four equivalent LiB4 tetrahedra, corners with twelve equivalent SnB4 tetrahedra, and edges with six equivalent LiB4 tetrahedra.
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