Fe12Zn3(CoO12)2 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(5), one O(9), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Co(1) is bonded to one O(8), one O(9), and two equivalent O(7) atoms to form CoO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and corners with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(4), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(2), one Fe(3), one Fe(5), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(4), two equivalent Fe(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Fe(3), two equivalent Fe(2), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Fe(5), and one Co(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one Co(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(2), and one Co(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(2) atoms.
Fe12Zn3(CoO12)2 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(6) bond length is 1.94 Å. Both Fe(1)-O(3) bond lengths are 2.04 Å. Both Fe(1)-O(8) bond lengths are 2.13 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(2)-O(10) bond length is 1.95 Å. The Fe(2)-O(2) bond length is 2.04 Å. The Fe(2)-O(4) bond length is 2.03 Å. The Fe(2)-O(5) bond length is 2.06 Å. The Fe(2)-O(7) bond length is 2.13 Å. The Fe(2)-O(9) bond length is 2.13 Å. In the third Fe site, Fe(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The Fe(3)-O(4) bond length is 2.06 Å. The Fe(3)-O(8) bond length is 2.16 Å. Both Fe(3)-O(2) bond lengths are 2.10 Å. Both Fe(3)-O(6) bond lengths are 1.98 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The Fe(4)-O(10) bond length is 1.95 Å. The Fe(4)-O(3) bond length is 2.05 Å. Both Fe(4)-O(1) bond lengths are 2.04 Å. Both Fe(4)-O(7) bond lengths are 2.14 Å. In the fifth Fe site, Fe(5) is bonded to one O(5), one O(9), two equivalent O(2), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The Fe(5)-O(5) bond length is 2.04 Å. The Fe(5)-O(9) bond length is 2.09 Å. Both Fe(5)-O(2) bond lengths are 2.02 Å. Both Fe(5)-O(7) bond lengths are 2.10 Å. Co(1) is bonded to one O(8), one O(9), and two equivalent O(7) atoms to form CoO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. The Co(1)-O(8) bond length is 1.88 Å. The Co(1)-O(9) bond length is 1.93 Å. Both Co(1)-O(7) bond lengths are 1.92 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and corners with four equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Both Zn(1)-O(1) bond lengths are 2.02 Å. Both Zn(1)-O(4) bond lengths are 2.00 Å. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Zn(2)-O(3) bond length is 2.00 Å. The Zn(2)-O(5) bond length is 2.04 Å. Both Zn(2)-O(2) bond lengths are 2.00 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(4), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(2), one Fe(3), one Fe(5), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(4), two equivalent Fe(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Fe(3), two equivalent Fe(2), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OZnFe3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Fe(5), and one Co(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(1), and one Co(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(5), two equivalent Fe(2), and one Co(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(2) atoms.