CrMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) 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 Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to one Cr(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids.
CrMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. Both Cr(1)-O(1) bond lengths are 2.02 Å. All Cr(1)-O(3) bond lengths are 2.00 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Mn(1)-O(1) bond length is 2.06 Å. The Mn(1)-O(2) bond length is 2.02 Å. Both Mn(1)-O(3) bond lengths are 2.02 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. Both Mn(2)-O(2) bond lengths are 2.28 Å. All Mn(2)-O(3) bond lengths are 1.94 Å. In the third Mn site, Mn(3) 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 Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Both Mn(3)-O(1) bond lengths are 2.00 Å. Both Mn(3)-O(2) bond lengths are 1.93 Å. Both Mn(3)-O(3) bond lengths are 2.22 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to one Cr(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids.