CaCd2Sb2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Sb(1) atoms to form CaSb6 octahedra that share corners with twelve equivalent Cd(1)Sb4 tetrahedra, edges with six equivalent Ca(1)Sb6 octahedra, and edges with six equivalent Cd(1)Sb4 tetrahedra. Cd(1) is bonded to four equivalent Sb(1) atoms to form CdSb4 tetrahedra that share corners with six equivalent Ca(1)Sb6 octahedra, corners with six equivalent Cd(1)Sb4 tetrahedra, edges with three equivalent Ca(1)Sb6 octahedra, and edges with three equivalent Cd(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. Sb(1) is bonded to three equivalent Ca(1) and four equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SbCa3Cd4 pentagonal bipyramids.
CaCd2Sb2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Sb(1) atoms to form CaSb6 octahedra that share corners with twelve equivalent Cd(1)Sb4 tetrahedra, edges with six equivalent Ca(1)Sb6 octahedra, and edges with six equivalent Cd(1)Sb4 tetrahedra. All Ca(1)-Sb(1) bond lengths are 3.26 Å. Cd(1) is bonded to four equivalent Sb(1) atoms to form CdSb4 tetrahedra that share corners with six equivalent Ca(1)Sb6 octahedra, corners with six equivalent Cd(1)Sb4 tetrahedra, edges with three equivalent Ca(1)Sb6 octahedra, and edges with three equivalent Cd(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. There are three shorter (2.89 Å) and one longer (2.99 Å) Cd(1)-Sb(1) bond length. Sb(1) is bonded to three equivalent Ca(1) and four equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing SbCa3Cd4 pentagonal bipyramids.