Mn2Fe3Co3O16 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two 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 Co(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) 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 Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(2), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2), one Fe(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Co(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Fe(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Fe(2) atoms.
Mn2Fe3Co3O16 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two 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 Co(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(8) bond length is 1.90 Å. Both Mn(1)-O(1) bond lengths are 1.96 Å. Both Mn(1)-O(6) bond lengths are 1.94 Å. In the second Mn site, Mn(2) 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 Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(7) bond length is 2.04 Å. Both Mn(2)-O(11) bond lengths are 1.97 Å. Both Mn(2)-O(9) bond lengths are 1.91 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Fe(1)-O(3) bond length is 1.93 Å. The Fe(1)-O(4) bond length is 1.92 Å. Both Fe(1)-O(11) bond lengths are 1.94 Å. Both Fe(1)-O(6) bond lengths are 2.01 Å. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Fe(2)-O(1) bond length is 1.98 Å. The Fe(2)-O(10) bond length is 1.94 Å. The Fe(2)-O(12) bond length is 1.99 Å. The Fe(2)-O(5) bond length is 1.92 Å. The Fe(2)-O(8) bond length is 1.94 Å. The Fe(2)-O(9) bond length is 2.08 Å. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Co(1)-O(11) bond length is 1.87 Å. The Co(1)-O(2) bond length is 1.91 Å. The Co(1)-O(3) bond length is 1.91 Å. The Co(1)-O(4) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.89 Å. The Co(1)-O(7) bond length is 1.87 Å. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Co(2)-O(10) bond length is 1.89 Å. The Co(2)-O(5) bond length is 1.89 Å. Both Co(2)-O(1) bond lengths are 1.88 Å. Both Co(2)-O(9) bond lengths are 1.90 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(2), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2), one Fe(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Co(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Fe(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Fe(2) atoms.