CdZnSe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra.
CdZnSe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. The Cd(1)-Se(1) bond length is 2.69 Å. All Cd(1)-Se(2) bond lengths are 2.64 Å. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. The Zn(1)-Se(2) bond length is 2.47 Å. All Zn(1)-Se(1) bond lengths are 2.55 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra.