CdZn3O4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to one O(1) and three equivalent O(3) atoms to form CdO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with six equivalent Cd(1)O4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cd(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with six equivalent Zn(2)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(3) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cd(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with six equivalent Zn(3)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cd(1) and three equivalent Zn(2) atoms to form OZn3Cd tetrahedra that share corners with three equivalent O(4)Zn4 tetrahedra, corners with three equivalent O(3)ZnCd3 tetrahedra, and corners with six equivalent O(1)Zn3Cd tetrahedra. In the second O site, O(2) is bonded to one Zn(1) and three equivalent Zn(3) atoms to form OZn4 tetrahedra that share corners with three equivalent O(4)Zn4 tetrahedra, corners with three equivalent O(3)ZnCd3 tetrahedra, and corners with six equivalent O(2)Zn4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Cd(1) and one Zn(3) atom to form OZnCd3 tetrahedra that share corners with three equivalent O(1)Zn3Cd tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with six equivalent O(3)ZnCd3 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(1)Zn3Cd tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with six equivalent O(4)Zn4 tetrahedra.
CdZn3O4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to one O(1) and three equivalent O(3) atoms to form CdO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with six equivalent Cd(1)O4 tetrahedra. The Cd(1)-O(1) bond length is 2.24 Å. All Cd(1)-O(3) bond lengths are 2.17 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(2) bond length is 2.00 Å. All Zn(1)-O(4) bond lengths are 2.03 Å. In the second Zn site, Zn(2) is bonded to one O(4) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cd(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with six equivalent Zn(2)O4 tetrahedra. The Zn(2)-O(4) bond length is 2.00 Å. All Zn(2)-O(1) bond lengths are 2.03 Å. In the third Zn site, Zn(3) is bonded to one O(3) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Cd(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with six equivalent Zn(3)O4 tetrahedra. The Zn(3)-O(3) bond length is 1.98 Å. All Zn(3)-O(2) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cd(1) and three equivalent Zn(2) atoms to form OZn3Cd tetrahedra that share corners with three equivalent O(4)Zn4 tetrahedra, corners with three equivalent O(3)ZnCd3 tetrahedra, and corners with six equivalent O(1)Zn3Cd tetrahedra. In the second O site, O(2) is bonded to one Zn(1) and three equivalent Zn(3) atoms to form OZn4 tetrahedra that share corners with three equivalent O(4)Zn4 tetrahedra, corners with three equivalent O(3)ZnCd3 tetrahedra, and corners with six equivalent O(2)Zn4 tetrahedra. In the third O site, O(3) is bonded to three equivalent Cd(1) and one Zn(3) atom to form OZnCd3 tetrahedra that share corners with three equivalent O(1)Zn3Cd tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with six equivalent O(3)ZnCd3 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(1)Zn3Cd tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with six equivalent O(4)Zn4 tetrahedra.