Cr3Mn3O8 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(7) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(6)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Cr(4)O6 octahedra. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(6)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(6), one O(9), two equivalent O(11), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Mn(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(12), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Mn(5)O4 tetrahedra, corners with three equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(6), and two equivalent O(8) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), and two equivalent O(11) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(3), and two equivalent O(12) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(5), and two equivalent O(7) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(3), one Mn(2), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(4), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(3), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(2), one Cr(4), one Mn(1), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(3), one Mn(1), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(4), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded to one Cr(1), one Cr(3), one Mn(1), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Cr(2), one Cr(4), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids.
Cr3Mn3O8 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(7) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Cr(3)O6 octahedra. The Cr(1)-O(1) bond length is 2.00 Å. The Cr(1)-O(3) bond length is 2.01 Å. Both Cr(1)-O(11) bond lengths are 2.01 Å. Both Cr(1)-O(7) bond lengths are 2.01 Å. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(6)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Cr(4)O6 octahedra. The Cr(2)-O(2) bond length is 2.00 Å. The Cr(2)-O(4) bond length is 2.00 Å. Both Cr(2)-O(12) bond lengths are 2.01 Å. Both Cr(2)-O(8) bond lengths are 2.01 Å. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The Cr(3)-O(1) bond length is 2.00 Å. The Cr(3)-O(11) bond length is 2.02 Å. The Cr(3)-O(3) bond length is 2.01 Å. The Cr(3)-O(5) bond length is 1.98 Å. The Cr(3)-O(7) bond length is 2.02 Å. The Cr(3)-O(9) bond length is 1.98 Å. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(6)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The Cr(4)-O(10) bond length is 1.98 Å. The Cr(4)-O(12) bond length is 2.02 Å. The Cr(4)-O(2) bond length is 2.01 Å. The Cr(4)-O(4) bond length is 2.01 Å. The Cr(4)-O(6) bond length is 1.97 Å. The Cr(4)-O(8) bond length is 2.02 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(6), one O(9), two equivalent O(11), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Mn(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The Mn(1)-O(6) bond length is 2.19 Å. The Mn(1)-O(9) bond length is 2.17 Å. Both Mn(1)-O(11) bond lengths are 1.95 Å. Both Mn(1)-O(8) bond lengths are 1.96 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(12), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Mn(5)O4 tetrahedra, corners with three equivalent Mn(6)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The Mn(2)-O(10) bond length is 2.18 Å. The Mn(2)-O(5) bond length is 2.18 Å. Both Mn(2)-O(12) bond lengths are 1.95 Å. Both Mn(2)-O(7) bond lengths are 1.95 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(6), and two equivalent O(8) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Mn(3)-O(1) bond length is 2.03 Å. The Mn(3)-O(6) bond length is 1.99 Å. Both Mn(3)-O(8) bond lengths are 2.04 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), and two equivalent O(11) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Mn(4)-O(4) bond length is 2.03 Å. The Mn(4)-O(9) bond length is 1.99 Å. Both Mn(4)-O(11) bond lengths are 2.04 Å. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(3), and two equivalent O(12) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Mn(5)-O(10) bond length is 1.98 Å. The Mn(5)-O(3) bond length is 2.04 Å. Both Mn(5)-O(12) bond lengths are 2.04 Å. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(5), and two equivalent O(7) atoms to form MnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Mn(6)-O(2) bond length is 2.03 Å. The Mn(6)-O(5) bond length is 1.98 Å. Both Mn(6)-O(7) bond lengths are 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(3), one Mn(2), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(4), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(3), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(2), one Cr(4), one Mn(1), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(3), one Mn(1), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(4), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded to one Cr(1), one Cr(3), one Mn(1), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Cr(2), one Cr(4), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMn2Cr2 trigonal pyramids.