NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Te(1) atoms. Li(1) is bonded to four equivalent Na(1) atoms to form distorted LiNa4 tetrahedra that share corners with four equivalent Te(1)Na4 tetrahedra, corners with twelve equivalent Li(1)Na4 tetrahedra, and edges with six equivalent Te(1)Na4 tetrahedra. Te(1) is bonded to four equivalent Na(1) atoms to form TeNa4 tetrahedra that share corners with four equivalent Li(1)Na4 tetrahedra, corners with twelve equivalent Te(1)Na4 tetrahedra, and edges with six equivalent Li(1)Na4 tetrahedra.
NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Te(1) atoms. All Na(1)-Li(1) bond lengths are 3.00 Å. All Na(1)-Te(1) bond lengths are 3.00 Å. Li(1) is bonded to four equivalent Na(1) atoms to form distorted LiNa4 tetrahedra that share corners with four equivalent Te(1)Na4 tetrahedra, corners with twelve equivalent Li(1)Na4 tetrahedra, and edges with six equivalent Te(1)Na4 tetrahedra. Te(1) is bonded to four equivalent Na(1) atoms to form TeNa4 tetrahedra that share corners with four equivalent Li(1)Na4 tetrahedra, corners with twelve equivalent Te(1)Na4 tetrahedra, and edges with six equivalent Li(1)Na4 tetrahedra.