LiMnTe2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form LiTe6 octahedra that share corners with six equivalent Mn(1)Te4 tetrahedra, edges with six equivalent Li(1)Te6 octahedra, and edges with three equivalent Mn(1)Te4 tetrahedra. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Li(1)Te6 octahedra, corners with six equivalent Mn(1)Te4 tetrahedra, and edges with three equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted TeLi3Mn trigonal pyramids that share corners with six equivalent Te(2)Li3Mn3 octahedra, corners with six equivalent Te(1)Li3Mn trigonal pyramids, and edges with three equivalent Te(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 10-65°. In the second Te site, Te(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form TeLi3Mn3 octahedra that share corners with six equivalent Te(1)Li3Mn trigonal pyramids, edges with six equivalent Te(2)Li3Mn3 octahedra, and edges with three equivalent Te(1)Li3Mn trigonal pyramids.
LiMnTe2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form LiTe6 octahedra that share corners with six equivalent Mn(1)Te4 tetrahedra, edges with six equivalent Li(1)Te6 octahedra, and edges with three equivalent Mn(1)Te4 tetrahedra. All Li(1)-Te(1) bond lengths are 2.84 Å. All Li(1)-Te(2) bond lengths are 3.21 Å. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Li(1)Te6 octahedra, corners with six equivalent Mn(1)Te4 tetrahedra, and edges with three equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. The Mn(1)-Te(1) bond length is 2.54 Å. All Mn(1)-Te(2) bond lengths are 2.71 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted TeLi3Mn trigonal pyramids that share corners with six equivalent Te(2)Li3Mn3 octahedra, corners with six equivalent Te(1)Li3Mn trigonal pyramids, and edges with three equivalent Te(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 10-65°. In the second Te site, Te(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form TeLi3Mn3 octahedra that share corners with six equivalent Te(1)Li3Mn trigonal pyramids, edges with six equivalent Te(2)Li3Mn3 octahedra, and edges with three equivalent Te(1)Li3Mn trigonal pyramids.