MgTi6(N2O3)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one N(1), one N(2), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(2)N4O2 octahedra, corners with two equivalent Ti(1)N2O4 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with three equivalent Ti(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-47°. In the second Ti site, Ti(2) is bonded to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom to form distorted TiN4O2 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(4)N3O3 octahedra, corners with two equivalent Ti(2)N4O2 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with three equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(6)N2O4 octahedra,  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(3)N2O4 octahedra,  an edgeedge with one Ti(1)N2O4 octahedra,  an edgeedge with one Ti(2)N4O2 octahedra, edges with two equivalent Ti(6)N2O4 octahedra, and edges with two equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the fourth Ti site, Ti(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N4O2 octahedra, corners with two equivalent Ti(4)N3O3 octahedra,  an edgeedge with one Ti(6)N2O4 octahedra,  an edgeedge with one Ti(5)N3O3 octahedra, edges with two equivalent Ti(1)N2O4 octahedra, and edges with two equivalent Ti(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(6)N2O4 octahedra, corners with two equivalent Ti(5)N3O3 octahedra,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(3)N2O4 octahedra, and edges with three equivalent Ti(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 17-69°. In the sixth Ti site, Ti(6) is bonded to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(6)N2O4 octahedra,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(3)N2O4 octahedra, and edges with three equivalent Ti(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-69°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(2)MgTi4 trigonal bipyramid, edges with two equivalent O(6)MgTi4 trigonal bipyramids, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent N(2)MgTi4 trigonal bipyramids, corners with three equivalent O(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(1)MgTi4 trigonal bipyramid, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(4)Ti4 trigonal pyramids. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the fourth N site, N(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with three equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent N(4)Ti4 trigonal pyramids, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(2), one Ti(3), and one Ti(5) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(4)Ti4 trigonal pyramids, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent N(2)MgTi4 trigonal bipyramids, and  a faceface with one O(2)Mg2Ti3 trigonal bipyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), one Ti(3), and one Ti(6) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(2)MgTi4 trigonal bipyramids, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent N(1)MgTi4 trigonal bipyramids, and  a faceface with one O(1)Mg2Ti3 trigonal bipyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Ti(6) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(4), one Ti(6), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form OMgTi4 trigonal bipyramids that share  a cornercorner with one N(1)MgTi4 trigonal bipyramid,  a cornercorner with one N(2)MgTi4 trigonal bipyramid,  a cornercorner with one O(1)Mg2Ti3 trigonal bipyramid,  a cornercorner with one O(2)Mg2Ti3 trigonal bipyramid, corners with two equivalent O(6)MgTi4 trigonal bipyramids,  a cornercorner with one N(4)Ti4 trigonal pyramid, edges with two equivalent N(1)MgTi4 trigonal bipyramids, edges with two equivalent N(2)MgTi4 trigonal bipyramids, edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids.
MgTi6(N2O3)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one N(1), one N(2), one O(6), two equivalent O(1), and two equivalent O(2) atoms. The Mg(1)-N(1) bond length is 2.46 Å. The Mg(1)-N(2) bond length is 2.22 Å. The Mg(1)-O(6) bond length is 2.06 Å. Both Mg(1)-O(1) bond lengths are 2.34 Å. Both Mg(1)-O(2) bond lengths are 2.38 Å. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(2)N4O2 octahedra, corners with two equivalent Ti(1)N2O4 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with three equivalent Ti(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-47°. The Ti(1)-N(1) bond length is 2.16 Å. The Ti(1)-N(3) bond length is 1.95 Å. The Ti(1)-O(2) bond length is 2.24 Å. The Ti(1)-O(3) bond length is 2.06 Å. Both Ti(1)-O(5) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom to form distorted TiN4O2 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(4)N3O3 octahedra, corners with two equivalent Ti(2)N4O2 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with three equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. The Ti(2)-N(2) bond length is 2.41 Å. The Ti(2)-N(3) bond length is 2.03 Å. Both Ti(2)-N(4) bond lengths are 2.02 Å. The Ti(2)-O(1) bond length is 2.12 Å. The Ti(2)-O(4) bond length is 1.97 Å. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(6)N2O4 octahedra,  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(3)N2O4 octahedra,  an edgeedge with one Ti(1)N2O4 octahedra,  an edgeedge with one Ti(2)N4O2 octahedra, edges with two equivalent Ti(6)N2O4 octahedra, and edges with two equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. The Ti(3)-N(1) bond length is 1.98 Å. The Ti(3)-N(2) bond length is 1.97 Å. The Ti(3)-O(1) bond length is 2.04 Å. The Ti(3)-O(2) bond length is 2.03 Å. Both Ti(3)-O(6) bond lengths are 1.97 Å. In the fourth Ti site, Ti(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N4O2 octahedra, corners with two equivalent Ti(4)N3O3 octahedra,  an edgeedge with one Ti(6)N2O4 octahedra,  an edgeedge with one Ti(5)N3O3 octahedra, edges with two equivalent Ti(1)N2O4 octahedra, and edges with two equivalent Ti(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. The Ti(4)-N(4) bond length is 2.01 Å. Both Ti(4)-N(3) bond lengths are 2.05 Å. The Ti(4)-O(3) bond length is 2.07 Å. The Ti(4)-O(4) bond length is 1.99 Å. The Ti(4)-O(5) bond length is 2.19 Å. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(6)N2O4 octahedra, corners with two equivalent Ti(5)N3O3 octahedra,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(3)N2O4 octahedra, and edges with three equivalent Ti(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 17-69°. The Ti(5)-N(4) bond length is 1.96 Å. Both Ti(5)-N(2) bond lengths are 2.03 Å. The Ti(5)-O(1) bond length is 2.02 Å. The Ti(5)-O(4) bond length is 1.93 Å. The Ti(5)-O(6) bond length is 2.41 Å. In the sixth Ti site, Ti(6) is bonded to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(6)N2O4 octahedra,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(3)N2O4 octahedra, and edges with three equivalent Ti(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-69°. Both Ti(6)-N(1) bond lengths are 2.04 Å. The Ti(6)-O(2) bond length is 1.94 Å. The Ti(6)-O(3) bond length is 1.85 Å. The Ti(6)-O(5) bond length is 2.11 Å. The Ti(6)-O(6) bond length is 2.48 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(2)MgTi4 trigonal bipyramid, edges with two equivalent O(6)MgTi4 trigonal bipyramids, and edges with three equivalent O(2)Mg2Ti3 trigonal bipyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent N(2)MgTi4 trigonal bipyramids, corners with three equivalent O(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(1)MgTi4 trigonal bipyramid, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(4)Ti4 trigonal pyramids. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the fourth N site, N(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with three equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent N(4)Ti4 trigonal pyramids, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(2), one Ti(3), and one Ti(5) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(4)Ti4 trigonal pyramids, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent N(2)MgTi4 trigonal bipyramids, and  a faceface with one O(2)Mg2Ti3 trigonal bipyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), one Ti(3), and one Ti(6) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one O(6)MgTi4 trigonal bipyramid, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(2)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(2)MgTi4 trigonal bipyramids, edges with two equivalent O(6)MgTi4 trigonal bipyramids, edges with three equivalent N(1)MgTi4 trigonal bipyramids, and  a faceface with one O(1)Mg2Ti3 trigonal bipyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(4), and one Ti(6) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(4), one Ti(6), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form OMgTi4 trigonal bipyramids that share  a cornercorner with one N(1)MgTi4 trigonal bipyramid,  a cornercorner with one N(2)MgTi4 trigonal bipyramid,  a cornercorner with one O(1)Mg2Ti3 trigonal bipyramid,  a cornercorner with one O(2)Mg2Ti3 trigonal bipyramid, corners with two equivalent O(6)MgTi4 trigonal bipyramids,  a cornercorner with one N(4)Ti4 trigonal pyramid, edges with two equivalent N(1)MgTi4 trigonal bipyramids, edges with two equivalent N(2)MgTi4 trigonal bipyramids, edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ti3 trigonal bipyramids.