Cr3Mn5O16 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third Mn site, Mn(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Mn(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms.
Cr3Mn5O16 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Cr(1)-O(11) bond length is 1.86 Å. The Cr(1)-O(2) bond length is 1.97 Å. The Cr(1)-O(3) bond length is 1.97 Å. The Cr(1)-O(4) bond length is 1.95 Å. The Cr(1)-O(6) bond length is 2.01 Å. The Cr(1)-O(7) bond length is 1.92 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Cr(2)-O(10) bond length is 1.98 Å. The Cr(2)-O(5) bond length is 1.97 Å. Both Cr(2)-O(1) bond lengths are 1.86 Å. Both Cr(2)-O(9) bond lengths are 2.01 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Mn(1)-O(2) bond length is 1.92 Å. The Mn(1)-O(8) bond length is 1.96 Å. Both Mn(1)-O(1) bond lengths are 1.99 Å. Both Mn(1)-O(6) bond lengths are 1.92 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mn(2)-O(3) bond length is 1.90 Å. The Mn(2)-O(4) bond length is 1.91 Å. Both Mn(2)-O(11) bond lengths are 1.98 Å. Both Mn(2)-O(6) bond lengths are 1.93 Å. In the third Mn site, Mn(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(3)-O(12) bond length is 1.93 Å. The Mn(3)-O(7) bond length is 1.98 Å. Both Mn(3)-O(11) bond lengths are 1.98 Å. Both Mn(3)-O(9) bond lengths are 1.92 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Mn(4)-O(1) bond length is 1.98 Å. The Mn(4)-O(10) bond length is 1.92 Å. The Mn(4)-O(12) bond length is 1.96 Å. The Mn(4)-O(5) bond length is 1.92 Å. The Mn(4)-O(8) bond length is 1.93 Å. The Mn(4)-O(9) bond length is 1.94 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one Mn(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms.