MgZn7O8 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Zn(2)O4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(3) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Zn(2), and two equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra.
MgZn7O8 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Zn(2)O4 tetrahedra. The Mg(1)-O(1) bond length is 1.97 Å. All Mg(1)-O(4) bond lengths are 1.96 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.99 Å. Both Zn(1)-O(4) bond lengths are 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The Zn(2)-O(1) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 1.98 Å. Both Zn(2)-O(3) bond lengths are 1.97 Å. In the third Zn site, Zn(3) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(2) bond length is 1.99 Å. All Zn(3)-O(3) bond lengths are 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(3) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Zn(2), and two equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra.