LiTi2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra and edges with six equivalent Ti(1)S6 octahedra. S(1) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing SLiTi3 trigonal pyramids.
LiTi2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li(1)-S(1) bond lengths are 2.35 Å. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra and edges with six equivalent Ti(1)S6 octahedra. All Ti(1)-S(1) bond lengths are 2.46 Å. S(1) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing SLiTi3 trigonal pyramids.