Mg14CuZnO16 is alpha Po-derived structured and crystallizes in the orthorhombic Pmmm space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra, corners with four equivalent Mg(6)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cu(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Zn(1) atom to form OMg5Zn octahedra that share corners with two equivalent O(2)Mg5Cu octahedra, corners with four equivalent O(1)Mg5Zn octahedra, edges with two equivalent O(4)Mg4Zn2 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Cu(1) atom to form OMg5Cu octahedra that share corners with two equivalent O(1)Mg5Zn octahedra, corners with four equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(5)Mg4Cu2 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(5)Mg4Cu2 octahedra,  an edgeedge with one O(4)Mg4Zn2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Zn(1) atoms to form OMg4Zn2 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4ZnCu octahedra, edges with four equivalent O(1)Mg5Zn octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent Cu(1) atoms to form OMg4Cu2 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4ZnCu octahedra, edges with four equivalent O(2)Mg5Cu octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Zn octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)Mg5Cu octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Cu(1), and one Zn(1) atom to form OMg4ZnCu octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(5)Mg4Cu2 octahedra, edges with two equivalent O(4)Mg4Zn2 octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4ZnCu octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Mg14CuZnO16 is alpha Po-derived structured and crystallizes in the orthorhombic Pmmm space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(1) bond lengths are 2.11 Å. Both Mg(1)-O(6) bond lengths are 2.13 Å. Both Mg(1)-O(9) bond lengths are 2.13 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(2)-O(2) bond lengths are 2.10 Å. Both Mg(2)-O(7) bond lengths are 2.13 Å. Both Mg(2)-O(9) bond lengths are 2.13 Å. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(3)-O(4) bond length is 2.14 Å. The Mg(3)-O(5) bond length is 2.13 Å. Both Mg(3)-O(3) bond lengths are 2.13 Å. Both Mg(3)-O(8) bond lengths are 2.13 Å. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. The Mg(4)-O(6) bond length is 2.13 Å. The Mg(4)-O(7) bond length is 2.13 Å. Both Mg(4)-O(3) bond lengths are 2.14 Å. Both Mg(4)-O(9) bond lengths are 2.13 Å. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Mg(5)-O(4) bond length is 2.13 Å. The Mg(5)-O(6) bond length is 2.14 Å. Both Mg(5)-O(1) bond lengths are 2.13 Å. Both Mg(5)-O(3) bond lengths are 2.13 Å. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra, corners with four equivalent Mg(6)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Mg(6)-O(5) bond length is 2.13 Å. The Mg(6)-O(7) bond length is 2.14 Å. Both Mg(6)-O(2) bond lengths are 2.13 Å. Both Mg(6)-O(3) bond lengths are 2.13 Å. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Mg(7)-O(1) bond length is 2.14 Å. The Mg(7)-O(2) bond length is 2.13 Å. The Mg(7)-O(8) bond length is 2.13 Å. The Mg(7)-O(9) bond length is 2.14 Å. Both Mg(7)-O(3) bond lengths are 2.13 Å. Cu(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-O(2) bond lengths are 2.17 Å. Both Cu(1)-O(5) bond lengths are 2.13 Å. Both Cu(1)-O(8) bond lengths are 2.14 Å. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Zn(1)-O(1) bond lengths are 2.16 Å. Both Zn(1)-O(4) bond lengths are 2.13 Å. Both Zn(1)-O(8) bond lengths are 2.12 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), and one Zn(1) atom to form OMg5Zn octahedra that share corners with two equivalent O(2)Mg5Cu octahedra, corners with four equivalent O(1)Mg5Zn octahedra, edges with two equivalent O(4)Mg4Zn2 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one Cu(1) atom to form OMg5Cu octahedra that share corners with two equivalent O(1)Mg5Zn octahedra, corners with four equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(5)Mg4Cu2 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(5)Mg4Cu2 octahedra,  an edgeedge with one O(4)Mg4Zn2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(3), two equivalent Mg(5), and two equivalent Zn(1) atoms to form OMg4Zn2 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)Mg4ZnCu octahedra, edges with four equivalent O(1)Mg5Zn octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent Cu(1) atoms to form OMg4Cu2 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)Mg4ZnCu octahedra, edges with four equivalent O(2)Mg5Cu octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Zn2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)Mg5Zn octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4Cu2 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(2)Mg5Cu octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to two equivalent Mg(3), two equivalent Mg(7), one Cu(1), and one Zn(1) atom to form OMg4ZnCu octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)Mg4ZnCu octahedra, edges with two equivalent O(5)Mg4Cu2 octahedra, edges with two equivalent O(4)Mg4Zn2 octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)Mg4ZnCu octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(2)Mg5Cu octahedra, edges with two equivalent O(1)Mg5Zn octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.