LiSr2Ti6N2O11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(11) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(10), 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 N(2), two equivalent O(1), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, corners with two equivalent Ti(1)NO4 trigonal bipyramids, and edges with two equivalent Ti(4)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. 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(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. In the fourth Ti site, Ti(4) is bonded to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(4)N3O3 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-71°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate 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 in a rectangular see-saw-like geometry to one Li(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi4 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) 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 corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a square co-planar geometry to one Li(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) 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 tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a square co-planar geometry to two equivalent Li(1), one Ti(1), and one Ti(6) atom.
LiSr2Ti6N2O11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(11) atoms. The Li(1)-O(4) bond length is 1.93 Å. The Li(1)-O(8) bond length is 1.98 Å. Both Li(1)-O(11) bond lengths are 1.94 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(3) atoms. Both Sr(1)-O(10) bond lengths are 2.54 Å. There is one shorter (2.59 Å) and one longer (2.60 Å) Sr(1)-O(2) bond length. There is one shorter (2.75 Å) and one longer (2.76 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent O(1), and two equivalent O(9) atoms. Both Sr(2)-N(2) bond lengths are 2.77 Å. Both Sr(2)-O(1) bond lengths are 2.55 Å. Both Sr(2)-O(9) bond lengths are 2.57 Å. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, corners with two equivalent Ti(1)NO4 trigonal bipyramids, and edges with two equivalent Ti(4)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. The Ti(1)-N(1) bond length is 2.00 Å. The Ti(1)-O(11) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 1.85 Å. Both Ti(1)-O(4) bond lengths are 1.96 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. The Ti(2)-N(1) bond length is 2.09 Å. The Ti(2)-O(1) bond length is 1.75 Å. The Ti(2)-O(2) bond length is 2.05 Å. The Ti(2)-O(7) bond length is 2.44 Å. Both Ti(2)-O(5) 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(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. The Ti(3)-O(2) bond length is 1.87 Å. The Ti(3)-O(3) bond length is 2.00 Å. The Ti(3)-O(7) bond length is 2.08 Å. The Ti(3)-O(8) bond length is 2.10 Å. Both Ti(3)-O(6) bond lengths are 1.97 Å. In the fourth Ti site, Ti(4) is bonded to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(4)N3O3 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. The Ti(4)-N(2) bond length is 1.92 Å. Both Ti(4)-N(1) bond lengths are 1.99 Å. The Ti(4)-O(4) bond length is 2.10 Å. The Ti(4)-O(5) bond length is 2.28 Å. The Ti(4)-O(9) bond length is 2.06 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. The Ti(5)-O(10) bond length is 1.77 Å. The Ti(5)-O(5) bond length is 2.32 Å. The Ti(5)-O(6) bond length is 2.35 Å. The Ti(5)-O(9) bond length is 1.84 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(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-71°. The Ti(6)-N(2) bond length is 1.80 Å. The Ti(6)-O(11) bond length is 1.91 Å. The Ti(6)-O(6) bond length is 2.11 Å. Both Ti(6)-O(8) bond lengths are 2.00 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate 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 in a rectangular see-saw-like geometry to one Li(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi4 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) 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 corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a square co-planar geometry to one Li(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) 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 tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a square co-planar geometry to two equivalent Li(1), one Ti(1), and one Ti(6) atom.