Ti2Mn3Co3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. 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 Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Mn(2), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Mn(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Mn(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Mn(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Mn(2) atoms.
Ti2Mn3Co3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Ti(1)-O(2) bond length is 2.06 Å. The Ti(1)-O(8) bond length is 1.88 Å. Both Ti(1)-O(1) bond lengths are 1.91 Å. Both Ti(1)-O(6) bond lengths are 2.07 Å. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Ti(2)-O(12) bond length is 2.07 Å. The Ti(2)-O(7) bond length is 1.95 Å. Both Ti(2)-O(11) bond lengths are 1.89 Å. Both Ti(2)-O(9) bond lengths are 2.07 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mn(1)-O(3) bond length is 1.90 Å. The Mn(1)-O(4) bond length is 1.90 Å. Both Mn(1)-O(11) bond lengths are 1.95 Å. Both Mn(1)-O(6) bond lengths are 1.91 Å. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Mn(2)-O(1) bond length is 1.95 Å. The Mn(2)-O(10) bond length is 1.91 Å. The Mn(2)-O(12) bond length is 1.90 Å. The Mn(2)-O(5) bond length is 1.91 Å. The Mn(2)-O(8) bond length is 1.95 Å. The Mn(2)-O(9) bond length is 1.92 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 Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Co(1)-O(11) bond length is 1.91 Å. The Co(1)-O(2) bond length is 1.87 Å. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.86 Å. The Co(1)-O(7) bond length is 1.90 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 Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Co(2)-O(10) bond length is 1.90 Å. The Co(2)-O(5) bond length is 1.91 Å. Both Co(2)-O(1) bond lengths are 1.90 Å. Both Co(2)-O(9) bond lengths are 1.87 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Mn(2), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Mn(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Mn(2), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent Mn(2) and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Mn(1), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Mn(2) atoms.