MgTi6(N2O3)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent N(2) and four equivalent O(2) atoms to form distorted MgN2O4 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra, corners with six equivalent Ti(1)N2O4 octahedra, edges with two equivalent Mg(1)N2O4 octahedra, and faces with four equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 30-73°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(1) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Mg(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 17-65°. In the second Ti site, Ti(2) is bonded to three equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Mg(1)N2O4 octahedra,  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and faces with two equivalent Mg(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 6-73°. In the third Ti site, Ti(3) is bonded to three equivalent N(1), one O(1), and two equivalent O(3) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1) and three equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(2)MgTi4 trigonal bipyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(1), and three equivalent Ti(2) atoms to form NMgTi4 trigonal bipyramids that share corners with three equivalent N(2)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms.
MgTi6(N2O3)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent N(2) and four equivalent O(2) atoms to form distorted MgN2O4 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra, corners with six equivalent Ti(1)N2O4 octahedra, edges with two equivalent Mg(1)N2O4 octahedra, and faces with four equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 30-73°. Both Mg(1)-N(2) bond lengths are 2.01 Å. All Mg(1)-O(2) bond lengths are 2.32 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(1) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Mg(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 17-65°. The Ti(1)-N(1) bond length is 2.01 Å. The Ti(1)-N(2) bond length is 2.09 Å. The Ti(1)-O(2) bond length is 1.98 Å. The Ti(1)-O(3) bond length is 2.04 Å. Both Ti(1)-O(1) bond lengths are 2.03 Å. In the second Ti site, Ti(2) is bonded to three equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Mg(1)N2O4 octahedra,  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and faces with two equivalent Mg(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 6-73°. There are two shorter (2.01 Å) and one longer (2.03 Å) Ti(2)-N(2) bond length. The Ti(2)-O(1) bond length is 2.00 Å. There is one shorter (2.08 Å) and one longer (2.37 Å) Ti(2)-O(2) bond length. In the third Ti site, Ti(3) is bonded to three equivalent N(1), one O(1), and two equivalent O(3) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There is one shorter (2.01 Å) and two longer (2.07 Å) Ti(3)-N(1) bond lengths. The Ti(3)-O(1) bond length is 2.33 Å. There is one shorter (1.89 Å) and one longer (2.02 Å) Ti(3)-O(3) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1) and three equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(2)MgTi4 trigonal bipyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(1), and three equivalent Ti(2) atoms to form NMgTi4 trigonal bipyramids that share corners with three equivalent N(2)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms.