Cr2CdSe3S is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Se(2), two equivalent Se(1), two equivalent Se(3), and one S(1) atom to form CrSe5S octahedra that share corners with three equivalent Cd(2)Se2S2 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se5S octahedra, and edges with four equivalent Cr(2)Se4S2 octahedra. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent S(1) atoms to form CrSe4S2 octahedra that share corners with three equivalent Cd(2)Se2S2 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, edges with two equivalent Cr(2)Se4S2 octahedra, and edges with four equivalent Cr(1)Se5S octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cr(2)Se4S2 octahedra and corners with six equivalent Cr(1)Se5S octahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the second Cd site, Cd(2) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CdSe2S2 tetrahedra that share corners with six equivalent Cr(2)Se4S2 octahedra and corners with six equivalent Cr(1)Se5S octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(2) atom to form distorted SeCr3Cd trigonal pyramids that share corners with two equivalent S(1)Cr3Cd tetrahedra, corners with four equivalent Se(2)Cr3Cd tetrahedra, corners with five equivalent Se(3)Cr3Cd tetrahedra,  a cornercorner with one Se(1)Cr3Cd trigonal pyramid, edges with two equivalent S(1)Cr3Cd tetrahedra, and  an edgeedge with one Se(1)Cr3Cd trigonal pyramid. In the second Se site, Se(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(1) atom to form SeCr3Cd tetrahedra that share  a cornercorner with one Se(2)Cr3Cd tetrahedra, corners with two equivalent Se(3)Cr3Cd tetrahedra, corners with five equivalent S(1)Cr3Cd tetrahedra, corners with four equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one Se(2)Cr3Cd tetrahedra, and edges with two equivalent Se(3)Cr3Cd tetrahedra. In the third Se site, Se(3) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(1) atom to form distorted SeCr3Cd tetrahedra that share  a cornercorner with one Se(3)Cr3Cd tetrahedra, corners with two equivalent Se(2)Cr3Cd tetrahedra, corners with four equivalent S(1)Cr3Cd tetrahedra, corners with five equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one Se(3)Cr3Cd tetrahedra, and edges with two equivalent Se(2)Cr3Cd tetrahedra. S(1) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(2) atom to form distorted SCr3Cd tetrahedra that share  a cornercorner with one S(1)Cr3Cd tetrahedra, corners with four equivalent Se(3)Cr3Cd tetrahedra, corners with five equivalent Se(2)Cr3Cd tetrahedra, corners with two equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one S(1)Cr3Cd tetrahedra, and edges with two equivalent Se(1)Cr3Cd trigonal pyramids.
Cr2CdSe3S is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Se(2), two equivalent Se(1), two equivalent Se(3), and one S(1) atom to form CrSe5S octahedra that share corners with three equivalent Cd(2)Se2S2 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se5S octahedra, and edges with four equivalent Cr(2)Se4S2 octahedra. The Cr(1)-Se(2) bond length is 2.56 Å. Both Cr(1)-Se(1) bond lengths are 2.54 Å. Both Cr(1)-Se(3) bond lengths are 2.54 Å. The Cr(1)-S(1) bond length is 2.46 Å. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent S(1) atoms to form CrSe4S2 octahedra that share corners with three equivalent Cd(2)Se2S2 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, edges with two equivalent Cr(2)Se4S2 octahedra, and edges with four equivalent Cr(1)Se5S octahedra. The Cr(2)-Se(1) bond length is 2.54 Å. The Cr(2)-Se(3) bond length is 2.56 Å. Both Cr(2)-Se(2) bond lengths are 2.57 Å. Both Cr(2)-S(1) bond lengths are 2.46 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cr(2)Se4S2 octahedra and corners with six equivalent Cr(1)Se5S octahedra. The corner-sharing octahedral tilt angles range from 60-61°. Both Cd(1)-Se(2) bond lengths are 2.63 Å. Both Cd(1)-Se(3) bond lengths are 2.61 Å. In the second Cd site, Cd(2) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CdSe2S2 tetrahedra that share corners with six equivalent Cr(2)Se4S2 octahedra and corners with six equivalent Cr(1)Se5S octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Both Cd(2)-Se(1) bond lengths are 2.66 Å. Both Cd(2)-S(1) bond lengths are 2.59 Å. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(2) atom to form distorted SeCr3Cd trigonal pyramids that share corners with two equivalent S(1)Cr3Cd tetrahedra, corners with four equivalent Se(2)Cr3Cd tetrahedra, corners with five equivalent Se(3)Cr3Cd tetrahedra,  a cornercorner with one Se(1)Cr3Cd trigonal pyramid, edges with two equivalent S(1)Cr3Cd tetrahedra, and  an edgeedge with one Se(1)Cr3Cd trigonal pyramid. In the second Se site, Se(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(1) atom to form SeCr3Cd tetrahedra that share  a cornercorner with one Se(2)Cr3Cd tetrahedra, corners with two equivalent Se(3)Cr3Cd tetrahedra, corners with five equivalent S(1)Cr3Cd tetrahedra, corners with four equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one Se(2)Cr3Cd tetrahedra, and edges with two equivalent Se(3)Cr3Cd tetrahedra. In the third Se site, Se(3) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(1) atom to form distorted SeCr3Cd tetrahedra that share  a cornercorner with one Se(3)Cr3Cd tetrahedra, corners with two equivalent Se(2)Cr3Cd tetrahedra, corners with four equivalent S(1)Cr3Cd tetrahedra, corners with five equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one Se(3)Cr3Cd tetrahedra, and edges with two equivalent Se(2)Cr3Cd tetrahedra. S(1) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(2) atom to form distorted SCr3Cd tetrahedra that share  a cornercorner with one S(1)Cr3Cd tetrahedra, corners with four equivalent Se(3)Cr3Cd tetrahedra, corners with five equivalent Se(2)Cr3Cd tetrahedra, corners with two equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one S(1)Cr3Cd tetrahedra, and edges with two equivalent Se(1)Cr3Cd trigonal pyramids.