Ca(TiS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with twelve equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Ca(1)S4 tetrahedra and edges with six equivalent Ti(1)S6 octahedra. S(1) is bonded to one Ca(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing SCaTi3 tetrahedra.
Ca(TiS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ca(1) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with twelve equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. All Ca(1)-S(1) bond lengths are 2.63 Å. Ti(1) is bonded to six equivalent S(1) atoms to form TiS6 octahedra that share corners with six equivalent Ca(1)S4 tetrahedra and edges with six equivalent Ti(1)S6 octahedra. There are four shorter (2.52 Å) and two longer (2.54 Å) Ti(1)-S(1) bond lengths. S(1) is bonded to one Ca(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing SCaTi3 tetrahedra.