Ba2Ti6N2O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)NO5 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N3O3 octahedra, and edges with two equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Ti site, Ti(2) is bonded to three equivalent N(1), one O(1), one O(2), and one O(5) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third Ti site, Ti(3) is bonded to one N(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. N(1) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(1)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Ti(1), and one Ti(2) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(1)Ba2Ti2 tetrahedra and corners with three equivalent N(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms.
Ba2Ti6N2O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. The Ba(1)-O(5) bond length is 3.21 Å. Both Ba(1)-O(1) bond lengths are 2.73 Å. Both Ba(1)-O(2) bond lengths are 2.78 Å. Both Ba(1)-O(3) bond lengths are 2.84 Å. There is one shorter (3.23 Å) and one longer (3.25 Å) Ba(1)-O(4) bond length. Both Ba(1)-O(6) bond lengths are 3.10 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)NO5 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N3O3 octahedra, and edges with two equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. The Ti(1)-O(1) bond length is 2.00 Å. The Ti(1)-O(3) bond length is 1.90 Å. The Ti(1)-O(5) bond length is 2.10 Å. The Ti(1)-O(6) bond length is 1.91 Å. Both Ti(1)-O(4) bond lengths are 2.00 Å. In the second Ti site, Ti(2) is bonded to three equivalent N(1), one O(1), one O(2), and one O(5) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 29°. There are two shorter (2.04 Å) and one longer (2.07 Å) Ti(2)-N(1) bond length. The Ti(2)-O(1) bond length is 1.94 Å. The Ti(2)-O(2) bond length is 1.86 Å. The Ti(2)-O(5) bond length is 2.38 Å. In the third Ti site, Ti(3) is bonded to one N(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. The Ti(3)-N(1) bond length is 2.00 Å. The Ti(3)-O(2) bond length is 2.04 Å. The Ti(3)-O(3) bond length is 1.95 Å. The Ti(3)-O(4) bond length is 2.03 Å. Both Ti(3)-O(5) bond lengths are 1.99 Å. N(1) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(1)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Ti(1), and one Ti(2) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(1)Ba2Ti2 tetrahedra and corners with three equivalent N(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms.