Mn9Zn3O16 is Spinel-like structured and crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded to four equivalent O(3) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one Zn(2) atom to form distorted OMn3Zn trigonal pyramids that share  a cornercorner with one O(1)Mn3Zn trigonal pyramid, corners with two equivalent O(2)Mn3Zn trigonal pyramids, corners with three equivalent O(4)Mn3Zn trigonal pyramids, corners with six equivalent O(3)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn3Zn trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Mn(2) and one Zn(2) atom to form distorted OMn3Zn trigonal pyramids that share  a cornercorner with one O(2)Mn3Zn trigonal pyramid, corners with two equivalent O(1)Mn3Zn trigonal pyramids, corners with three equivalent O(3)Mn4 trigonal pyramids, corners with six equivalent O(4)Mn3Zn trigonal pyramids, and edges with three equivalent O(2)Mn3Zn trigonal pyramids. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share corners with three equivalent O(2)Mn3Zn trigonal pyramids, corners with three equivalent O(3)Mn4 trigonal pyramids, corners with six equivalent O(1)Mn3Zn trigonal pyramids,  an edgeedge with one O(3)Mn4 trigonal pyramid, and edges with two equivalent O(4)Mn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1), two equivalent Mn(2), and one Zn(1) atom to form distorted OMn3Zn trigonal pyramids that share corners with three equivalent O(1)Mn3Zn trigonal pyramids, corners with three equivalent O(4)Mn3Zn trigonal pyramids, corners with six equivalent O(2)Mn3Zn trigonal pyramids,  an edgeedge with one O(4)Mn3Zn trigonal pyramid, and edges with two equivalent O(3)Mn4 trigonal pyramids.
Mn9Zn3O16 is Spinel-like structured and crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The Mn(1)-O(4) bond length is 2.28 Å. Both Mn(1)-O(3) bond lengths are 1.93 Å. There are two shorter (1.93 Å) and one longer (2.31 Å) Mn(1)-O(1) bond length. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The Mn(2)-O(3) bond length is 2.26 Å. Both Mn(2)-O(4) bond lengths are 1.93 Å. There are two shorter (1.93 Å) and one longer (2.27 Å) Mn(2)-O(2) bond length. In the third Mn site, Mn(3) is bonded to four equivalent O(3) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-60°. All Mn(3)-O(3) bond lengths are 2.02 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. All Zn(1)-O(4) bond lengths are 1.98 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. Both Zn(2)-O(1) bond lengths are 1.98 Å. Both Zn(2)-O(2) bond lengths are 1.98 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one Zn(2) atom to form distorted OMn3Zn trigonal pyramids that share  a cornercorner with one O(1)Mn3Zn trigonal pyramid, corners with two equivalent O(2)Mn3Zn trigonal pyramids, corners with three equivalent O(4)Mn3Zn trigonal pyramids, corners with six equivalent O(3)Mn4 trigonal pyramids, and edges with three equivalent O(1)Mn3Zn trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Mn(2) and one Zn(2) atom to form distorted OMn3Zn trigonal pyramids that share  a cornercorner with one O(2)Mn3Zn trigonal pyramid, corners with two equivalent O(1)Mn3Zn trigonal pyramids, corners with three equivalent O(3)Mn4 trigonal pyramids, corners with six equivalent O(4)Mn3Zn trigonal pyramids, and edges with three equivalent O(2)Mn3Zn trigonal pyramids. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share corners with three equivalent O(2)Mn3Zn trigonal pyramids, corners with three equivalent O(3)Mn4 trigonal pyramids, corners with six equivalent O(1)Mn3Zn trigonal pyramids,  an edgeedge with one O(3)Mn4 trigonal pyramid, and edges with two equivalent O(4)Mn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1), two equivalent Mn(2), and one Zn(1) atom to form distorted OMn3Zn trigonal pyramids that share corners with three equivalent O(1)Mn3Zn trigonal pyramids, corners with three equivalent O(4)Mn3Zn trigonal pyramids, corners with six equivalent O(2)Mn3Zn trigonal pyramids,  an edgeedge with one O(4)Mn3Zn trigonal pyramid, and edges with two equivalent O(3)Mn4 trigonal pyramids.