CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form TeZn3Cd tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form TeZnCd3 tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra.
CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. The Cd(1)-Te(1) bond length is 2.87 Å. All Cd(1)-Te(2) bond lengths are 2.82 Å. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. The Zn(1)-Te(2) bond length is 2.67 Å. All Zn(1)-Te(1) bond lengths are 2.74 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form TeZn3Cd tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form TeZnCd3 tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra.