Ca(CoS2)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 Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with six equivalent Ca(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. S(1) is bonded to one Ca(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SCaCo3 tetrahedra.
Ca(CoS2)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 Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. All Ca(1)-S(1) bond lengths are 2.61 Å. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with six equivalent Ca(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. There are four shorter (2.31 Å) and two longer (2.32 Å) Co(1)-S(1) bond lengths. S(1) is bonded to one Ca(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing SCaCo3 tetrahedra.