MgZn4(Co3O8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(12), one O(4), and one O(5) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(3) atom to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the fourth Co site, Co(4) is bonded to one O(12), one O(14), one O(16), one O(2), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the fifth Co site, Co(5) is bonded to one O(10), one O(12), one O(16), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the sixth Co site, Co(6) is bonded to one O(11), one O(13), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(14), one O(4), one O(5), and one O(7) atom to form ZnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, corners with three equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Zn site, Zn(2) is bonded to one O(15), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Zn site, Zn(3) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-68°. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(5), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(6), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(6), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(4), one Co(5), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Co(4), one Co(5), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 tetrahedra that share  a cornercorner with one O(10)Zn2Co2 tetrahedra,  a cornercorner with one O(14)Zn2Co2 trigonal pyramid, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(10)Zn2Co2 tetrahedra, and  an edgeedge with one O(14)Zn2Co2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Co(3), one Co(6), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the ninth O site, O(9) is bonded to one Co(1), one Co(6), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the tenth O site, O(10) is bonded to one Co(2), one Co(5), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 tetrahedra that share  a cornercorner with one O(7)Zn2Co2 tetrahedra,  a cornercorner with one O(14)Zn2Co2 trigonal pyramid, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(7)Zn2Co2 tetrahedra, and  an edgeedge with one O(14)Zn2Co2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(3), and one Co(6) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(6), and one Zn(4) atom. In the fourteenth O site, O(14) is bonded to one Co(2), one Co(4), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 trigonal pyramids that share  a cornercorner with one O(10)Zn2Co2 tetrahedra,  a cornercorner with one O(7)Zn2Co2 tetrahedra, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(10)Zn2Co2 tetrahedra, and  an edgeedge with one O(7)Zn2Co2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Co(1), one Co(3), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Co(2), one Co(4), one Co(5), and one Zn(3) atom.
MgZn4(Co3O8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(12), one O(4), and one O(5) atom. The Mg(1)-O(1) bond length is 1.95 Å. The Mg(1)-O(12) bond length is 1.84 Å. The Mg(1)-O(4) bond length is 1.95 Å. The Mg(1)-O(5) bond length is 1.98 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Co(1)-O(1) bond length is 2.02 Å. The Co(1)-O(11) bond length is 1.98 Å. The Co(1)-O(13) bond length is 2.08 Å. The Co(1)-O(15) bond length is 1.92 Å. The Co(1)-O(4) bond length is 2.10 Å. The Co(1)-O(9) bond length is 2.00 Å. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(3) atom to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Co(2)-O(10) bond length is 2.03 Å. The Co(2)-O(12) bond length is 2.05 Å. The Co(2)-O(14) bond length is 1.87 Å. The Co(2)-O(16) bond length is 2.10 Å. The Co(2)-O(2) bond length is 1.79 Å. The Co(2)-O(3) bond length is 1.91 Å. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Co(3)-O(1) bond length is 1.91 Å. The Co(3)-O(11) bond length is 1.90 Å. The Co(3)-O(13) bond length is 1.96 Å. The Co(3)-O(15) bond length is 1.89 Å. The Co(3)-O(5) bond length is 1.95 Å. The Co(3)-O(8) bond length is 1.91 Å. In the fourth Co site, Co(4) is bonded to one O(12), one O(14), one O(16), one O(2), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The Co(4)-O(12) bond length is 1.87 Å. The Co(4)-O(14) bond length is 2.30 Å. The Co(4)-O(16) bond length is 1.89 Å. The Co(4)-O(2) bond length is 2.07 Å. The Co(4)-O(6) bond length is 1.78 Å. The Co(4)-O(7) bond length is 1.91 Å. In the fifth Co site, Co(5) is bonded to one O(10), one O(12), one O(16), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Co(5)-O(10) bond length is 2.06 Å. The Co(5)-O(12) bond length is 1.98 Å. The Co(5)-O(16) bond length is 1.99 Å. The Co(5)-O(3) bond length is 1.88 Å. The Co(5)-O(6) bond length is 2.03 Å. The Co(5)-O(7) bond length is 2.15 Å. In the sixth Co site, Co(6) is bonded to one O(11), one O(13), one O(4), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Co(6)-O(11) bond length is 1.91 Å. The Co(6)-O(13) bond length is 1.96 Å. The Co(6)-O(4) bond length is 1.89 Å. The Co(6)-O(5) bond length is 1.94 Å. The Co(6)-O(8) bond length is 1.92 Å. The Co(6)-O(9) bond length is 1.87 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(14), one O(4), one O(5), and one O(7) atom to form ZnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, corners with three equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Zn(1)-O(1) bond length is 2.11 Å. The Zn(1)-O(10) bond length is 2.17 Å. The Zn(1)-O(14) bond length is 2.16 Å. The Zn(1)-O(4) bond length is 2.06 Å. The Zn(1)-O(5) bond length is 2.20 Å. The Zn(1)-O(7) bond length is 2.21 Å. In the second Zn site, Zn(2) is bonded to one O(15), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Zn(2)-O(15) bond length is 2.22 Å. The Zn(2)-O(2) bond length is 2.05 Å. The Zn(2)-O(3) bond length is 2.03 Å. The Zn(2)-O(6) bond length is 2.03 Å. The Zn(2)-O(8) bond length is 2.21 Å. The Zn(2)-O(9) bond length is 2.21 Å. In the third Zn site, Zn(3) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(6)O6 octahedra, and corners with three equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-68°. The Zn(3)-O(15) bond length is 1.96 Å. The Zn(3)-O(16) bond length is 1.98 Å. The Zn(3)-O(8) bond length is 1.99 Å. The Zn(3)-O(9) bond length is 1.94 Å. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra, and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. The Zn(4)-O(10) bond length is 1.96 Å. The Zn(4)-O(13) bond length is 2.14 Å. The Zn(4)-O(14) bond length is 1.95 Å. The Zn(4)-O(7) bond length is 1.97 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(2), one Co(5), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(6), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(6), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(4), one Co(5), and one Zn(2) atom. In the seventh O site, O(7) is bonded to one Co(4), one Co(5), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 tetrahedra that share  a cornercorner with one O(10)Zn2Co2 tetrahedra,  a cornercorner with one O(14)Zn2Co2 trigonal pyramid, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(10)Zn2Co2 tetrahedra, and  an edgeedge with one O(14)Zn2Co2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Co(3), one Co(6), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the ninth O site, O(9) is bonded to one Co(1), one Co(6), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the tenth O site, O(10) is bonded to one Co(2), one Co(5), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 tetrahedra that share  a cornercorner with one O(7)Zn2Co2 tetrahedra,  a cornercorner with one O(14)Zn2Co2 trigonal pyramid, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(7)Zn2Co2 tetrahedra, and  an edgeedge with one O(14)Zn2Co2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(3), and one Co(6) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(6), and one Zn(4) atom. In the fourteenth O site, O(14) is bonded to one Co(2), one Co(4), one Zn(1), and one Zn(4) atom to form distorted OZn2Co2 trigonal pyramids that share  a cornercorner with one O(10)Zn2Co2 tetrahedra,  a cornercorner with one O(7)Zn2Co2 tetrahedra, corners with two equivalent O(12)MgCo3 trigonal pyramids,  an edgeedge with one O(10)Zn2Co2 tetrahedra, and  an edgeedge with one O(7)Zn2Co2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Co(1), one Co(3), one Zn(2), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Co(2), one Co(4), one Co(5), and one Zn(3) atom.