Sr2Ti6N2O11 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one N(1), two equivalent N(2), one O(5), one O(8), two equivalent O(11), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(2), two equivalent N(1), one O(1), one O(3), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)N3O3 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)N3O3 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)N3O3 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. In the fourth Ti site, Ti(4) is bonded to one N(1), one O(10), one O(4), one O(9), and two equivalent O(6) atoms to form distorted TiNO5 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(4)NO5 octahedra, edges with two equivalent Ti(1)N3O3 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(5), and two equivalent O(7) atoms. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(5), one O(9), and two equivalent O(8) atoms to form distorted TiNO5 octahedra that share  a cornercorner with one Ti(1)N3O3 octahedra,  a cornercorner with one Ti(4)NO5 octahedra, corners with two equivalent Ti(6)NO5 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-27°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Sr(1), one Ti(4), and two equivalent Ti(1) atoms. In the second N site, N(2) is bonded in a linear geometry to two equivalent Sr(1), one Ti(1), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Sr(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(5), and one Ti(6) atom.
Sr2Ti6N2O11 crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one N(1), two equivalent N(2), one O(5), one O(8), two equivalent O(11), two equivalent O(2), and two equivalent O(3) atoms. The Sr(1)-N(1) bond length is 3.22 Å. Both Sr(1)-N(2) bond lengths are 2.96 Å. The Sr(1)-O(5) bond length is 3.24 Å. The Sr(1)-O(8) bond length is 3.14 Å. Both Sr(1)-O(11) bond lengths are 2.62 Å. Both Sr(1)-O(2) bond lengths are 2.84 Å. Both Sr(1)-O(3) bond lengths are 2.72 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. Both Sr(2)-O(1) bond lengths are 2.67 Å. Both Sr(2)-O(10) bond lengths are 2.71 Å. Both Sr(2)-O(9) bond lengths are 2.76 Å. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(2), two equivalent N(1), one O(1), one O(3), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)N3O3 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. The Ti(1)-N(2) bond length is 1.87 Å. Both Ti(1)-N(1) bond lengths are 1.97 Å. The Ti(1)-O(1) bond length is 2.14 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(6) bond length is 2.35 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)N3O3 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles are 32°. The Ti(2)-O(1) bond length is 1.83 Å. The Ti(2)-O(2) bond length is 1.84 Å. The Ti(2)-O(6) bond length is 2.21 Å. The Ti(2)-O(7) bond length is 2.21 Å. Both Ti(2)-O(4) bond lengths are 2.00 Å. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)N3O3 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 18-21°. The Ti(3)-O(2) bond length is 2.02 Å. The Ti(3)-O(3) bond length is 1.80 Å. The Ti(3)-O(7) bond length is 2.18 Å. The Ti(3)-O(8) bond length is 2.02 Å. Both Ti(3)-O(5) bond lengths are 1.95 Å. In the fourth Ti site, Ti(4) is bonded to one N(1), one O(10), one O(4), one O(9), and two equivalent O(6) atoms to form distorted TiNO5 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(4)NO5 octahedra, edges with two equivalent Ti(1)N3O3 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. The Ti(4)-N(1) bond length is 1.87 Å. The Ti(4)-O(10) bond length is 2.31 Å. The Ti(4)-O(4) bond length is 2.16 Å. The Ti(4)-O(9) bond length is 1.86 Å. Both Ti(4)-O(6) bond lengths are 1.95 Å. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(5), and two equivalent O(7) atoms. The Ti(5)-O(10) bond length is 1.79 Å. The Ti(5)-O(11) bond length is 1.84 Å. The Ti(5)-O(4) bond length is 2.24 Å. The Ti(5)-O(5) bond length is 2.32 Å. Both Ti(5)-O(7) bond lengths are 2.01 Å. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(5), one O(9), and two equivalent O(8) atoms to form distorted TiNO5 octahedra that share  a cornercorner with one Ti(1)N3O3 octahedra,  a cornercorner with one Ti(4)NO5 octahedra, corners with two equivalent Ti(6)NO5 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-27°. The Ti(6)-N(2) bond length is 1.83 Å. The Ti(6)-O(11) bond length is 2.16 Å. The Ti(6)-O(5) bond length is 2.28 Å. The Ti(6)-O(9) bond length is 1.92 Å. Both Ti(6)-O(8) bond lengths are 1.97 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Sr(1), one Ti(4), and two equivalent Ti(1) atoms. In the second N site, N(2) is bonded in a linear geometry to two equivalent Sr(1), one Ti(1), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Sr(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(5), and one Ti(6) atom.