LiTiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Te(1) atoms to form LiTe6 octahedra that share corners with twelve equivalent Ti(1)Te6 octahedra, edges with six equivalent Li(1)Te6 octahedra, and faces with two equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 47°. Ti(1) is bonded to six equivalent Te(1) atoms to form TiTe6 octahedra that share corners with twelve equivalent Li(1)Te6 octahedra, edges with six equivalent Ti(1)Te6 octahedra, and faces with two equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 47°. Te(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing TeLi3Ti3 pentagonal pyramids.
LiTiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent Te(1) atoms to form LiTe6 octahedra that share corners with twelve equivalent Ti(1)Te6 octahedra, edges with six equivalent Li(1)Te6 octahedra, and faces with two equivalent Ti(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li(1)-Te(1) bond lengths are 2.93 Å. Ti(1) is bonded to six equivalent Te(1) atoms to form TiTe6 octahedra that share corners with twelve equivalent Li(1)Te6 octahedra, edges with six equivalent Ti(1)Te6 octahedra, and faces with two equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ti(1)-Te(1) bond lengths are 2.83 Å. Te(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing TeLi3Ti3 pentagonal pyramids.