Materials Data on LiTaBe by Materials Project
LiBeTa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded to six equivalent Be and four equivalent Ta atoms to form a mixture of distorted corner and face-sharing LiTa4Be6 tetrahedra. All Li–Be bond lengths are 2.88 Å. All Li–Ta bond lengths are 2.50 Å. Be is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Ta atoms. All Be–Ta bond lengths are 2.50 Å. Ta is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Be atoms.