Cr2Zn(SeS)2 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CrSe3S3 octahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(2)Se4 tetrahedra, and edges with six equivalent Cr(1)Se3S3 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with twelve equivalent Cr(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 60°. Se(1) is bonded to three equivalent Cr(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing SeZnCr3 tetrahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Zn(1) atom.
Cr2Zn(SeS)2 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CrSe3S3 octahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(2)Se4 tetrahedra, and edges with six equivalent Cr(1)Se3S3 octahedra. All Cr(1)-Se(1) bond lengths are 2.53 Å. All Cr(1)-S(1) bond lengths are 2.43 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with twelve equivalent Cr(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 57°. All Zn(1)-S(1) bond lengths are 2.43 Å. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles are 60°. All Zn(2)-Se(1) bond lengths are 2.42 Å. Se(1) is bonded to three equivalent Cr(1) and one Zn(2) atom to form a mixture of distorted corner and edge-sharing SeZnCr3 tetrahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Zn(1) atom.