Cr2CdSeS3 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(1), one S(2), two equivalent S(1), and two equivalent S(3) atoms to form CrSeS5 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se2S2 tetrahedra, edges with two equivalent Cr(1)SeS5 octahedra, and edges with four equivalent Cr(2)Se2S4 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent Se(1), one S(1), one S(3), and two equivalent S(2) atoms to form CrSe2S4 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se2S2 tetrahedra, edges with two equivalent Cr(2)Se2S4 octahedra, and edges with four equivalent Cr(1)SeS5 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CdS4 tetrahedra that share corners with six equivalent Cr(2)Se2S4 octahedra and corners with six equivalent Cr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. 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)Se2S4 octahedra and corners with six equivalent Cr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. Se(1) is bonded to one Cr(1), two equivalent Cr(2), 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 S(3)Cr3Cd tetrahedra,  a cornercorner with one Se(1)Cr3Cd trigonal pyramid, corners with five equivalent S(2)Cr3Cd trigonal pyramids, edges with two equivalent S(1)Cr3Cd tetrahedra, and  an edgeedge with one Se(1)Cr3Cd trigonal pyramid. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(2) atom to form SCr3Cd tetrahedra that share  a cornercorner with one S(1)Cr3Cd tetrahedra, corners with five equivalent S(3)Cr3Cd tetrahedra, corners with two equivalent Se(1)Cr3Cd trigonal pyramids, corners with four equivalent S(2)Cr3Cd trigonal pyramids,  an edgeedge with one S(1)Cr3Cd tetrahedra, and edges with two equivalent Se(1)Cr3Cd trigonal pyramids. In the second S site, S(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(1) atom to form distorted SCr3Cd trigonal pyramids that share corners with two equivalent S(3)Cr3Cd tetrahedra, corners with four equivalent S(1)Cr3Cd tetrahedra,  a cornercorner with one S(2)Cr3Cd trigonal pyramid, corners with five equivalent Se(1)Cr3Cd trigonal pyramids, edges with two equivalent S(3)Cr3Cd tetrahedra, and  an edgeedge with one S(2)Cr3Cd trigonal pyramid. In the third S site, S(3) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(1) atom to form distorted SCr3Cd tetrahedra that share  a cornercorner with one S(3)Cr3Cd tetrahedra, corners with five equivalent S(1)Cr3Cd tetrahedra, corners with two equivalent S(2)Cr3Cd trigonal pyramids, corners with four equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one S(3)Cr3Cd tetrahedra, and edges with two equivalent S(2)Cr3Cd trigonal pyramids.
Cr2CdSeS3 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(1), one S(2), two equivalent S(1), and two equivalent S(3) atoms to form CrSeS5 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se2S2 tetrahedra, edges with two equivalent Cr(1)SeS5 octahedra, and edges with four equivalent Cr(2)Se2S4 octahedra. The Cr(1)-Se(1) bond length is 2.53 Å. The Cr(1)-S(2) bond length is 2.44 Å. Both Cr(1)-S(1) bond lengths are 2.45 Å. Both Cr(1)-S(3) bond lengths are 2.44 Å. In the second Cr site, Cr(2) is bonded to two equivalent Se(1), one S(1), one S(3), and two equivalent S(2) atoms to form CrSe2S4 octahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)Se2S2 tetrahedra, edges with two equivalent Cr(2)Se2S4 octahedra, and edges with four equivalent Cr(1)SeS5 octahedra. Both Cr(2)-Se(1) bond lengths are 2.53 Å. The Cr(2)-S(1) bond length is 2.45 Å. The Cr(2)-S(3) bond length is 2.43 Å. Both Cr(2)-S(2) bond lengths are 2.42 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CdS4 tetrahedra that share corners with six equivalent Cr(2)Se2S4 octahedra and corners with six equivalent Cr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Both Cd(1)-S(2) bond lengths are 2.55 Å. Both Cd(1)-S(3) bond lengths are 2.57 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)Se2S4 octahedra and corners with six equivalent Cr(1)SeS5 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. Both Cd(2)-Se(1) bond lengths are 2.60 Å. Both Cd(2)-S(1) bond lengths are 2.51 Å. Se(1) is bonded to one Cr(1), two equivalent Cr(2), 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 S(3)Cr3Cd tetrahedra,  a cornercorner with one Se(1)Cr3Cd trigonal pyramid, corners with five equivalent S(2)Cr3Cd trigonal pyramids, edges with two equivalent S(1)Cr3Cd tetrahedra, and  an edgeedge with one Se(1)Cr3Cd trigonal pyramid. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(2) atom to form SCr3Cd tetrahedra that share  a cornercorner with one S(1)Cr3Cd tetrahedra, corners with five equivalent S(3)Cr3Cd tetrahedra, corners with two equivalent Se(1)Cr3Cd trigonal pyramids, corners with four equivalent S(2)Cr3Cd trigonal pyramids,  an edgeedge with one S(1)Cr3Cd tetrahedra, and edges with two equivalent Se(1)Cr3Cd trigonal pyramids. In the second S site, S(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cd(1) atom to form distorted SCr3Cd trigonal pyramids that share corners with two equivalent S(3)Cr3Cd tetrahedra, corners with four equivalent S(1)Cr3Cd tetrahedra,  a cornercorner with one S(2)Cr3Cd trigonal pyramid, corners with five equivalent Se(1)Cr3Cd trigonal pyramids, edges with two equivalent S(3)Cr3Cd tetrahedra, and  an edgeedge with one S(2)Cr3Cd trigonal pyramid. In the third S site, S(3) is bonded to one Cr(2), two equivalent Cr(1), and one Cd(1) atom to form distorted SCr3Cd tetrahedra that share  a cornercorner with one S(3)Cr3Cd tetrahedra, corners with five equivalent S(1)Cr3Cd tetrahedra, corners with two equivalent S(2)Cr3Cd trigonal pyramids, corners with four equivalent Se(1)Cr3Cd trigonal pyramids,  an edgeedge with one S(3)Cr3Cd tetrahedra, and edges with two equivalent S(2)Cr3Cd trigonal pyramids.