ZnMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids.
ZnMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(1)-O(1) bond lengths are 2.25 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. Both Mn(1)-O(3) bond lengths are 2.00 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(2)-O(1) bond lengths are 1.97 Å. Both Mn(2)-O(2) bond lengths are 2.26 Å. Both Mn(2)-O(4) bond lengths are 1.96 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. Both Mn(3)-O(1) bond lengths are 1.98 Å. Both Mn(3)-O(3) bond lengths are 2.08 Å. Both Mn(3)-O(4) bond lengths are 2.00 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Both Mn(4)-O(2) bond lengths are 1.95 Å. Both Mn(4)-O(3) bond lengths are 2.01 Å. Both Mn(4)-O(4) bond lengths are 2.24 Å. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. The Zn(1)-O(1) bond length is 2.00 Å. The Zn(1)-O(2) bond length is 2.00 Å. The Zn(1)-O(3) bond length is 2.05 Å. The Zn(1)-O(4) bond length is 1.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids.