CdIn2S2Se2 is Spinel-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent In(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Cd site, Cd(2) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with twelve equivalent In(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 59°. In(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form InSe3S3 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and edges with six equivalent In(1)Se3S3 octahedra. Se(1) is bonded to one Cd(2) and three equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing SeCdIn3 trigonal pyramids. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Cd(1) and three equivalent In(1) atoms.
CdIn2S2Se2 is Spinel-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent In(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cd(1)-S(1) bond lengths are 2.65 Å. In the second Cd site, Cd(2) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with twelve equivalent In(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cd(2)-Se(1) bond lengths are 2.63 Å. In(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form InSe3S3 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and edges with six equivalent In(1)Se3S3 octahedra. All In(1)-Se(1) bond lengths are 2.77 Å. All In(1)-S(1) bond lengths are 2.68 Å. Se(1) is bonded to one Cd(2) and three equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing SeCdIn3 trigonal pyramids. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Cd(1) and three equivalent In(1) atoms.