Sr2CaTi6N2O11 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent N(2), one O(4), one O(8), two equivalent O(1), and two equivalent O(11) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(9), 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 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, and corners with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. 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 distorted 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 29°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom. 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, 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(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 are 66°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra,  a cornercorner with one O(7)Ti4 tetrahedra, and corners with two equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. 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 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(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 Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra, corners with two equivalent O(6)Ti4 tetrahedra, and edges with two equivalent O(7)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one N(1)Ti4 tetrahedra, corners with two equivalent O(7)Ti4 tetrahedra, and edges with two equivalent O(6)Ti4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(6) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one N(1)Ti4 tetrahedra,  a cornercorner with one O(6)Ti4 tetrahedra, and edges with two equivalent O(11)Sr4Ti2 octahedra.
Sr2CaTi6N2O11 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.73 Å. The Sr(1)-O(4) bond length is 2.82 Å. The Sr(1)-O(8) bond length is 2.59 Å. There is one shorter (2.50 Å) and one longer (2.59 Å) Sr(1)-O(10) bond length. There is one shorter (2.61 Å) and one longer (2.82 Å) Sr(1)-O(11) bond length. There is one shorter (2.55 Å) and one longer (3.12 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent N(2), one O(4), one O(8), two equivalent O(1), and two equivalent O(11) atoms. There is one shorter (2.61 Å) and one longer (2.87 Å) Sr(2)-N(2) bond length. The Sr(2)-O(4) bond length is 2.65 Å. The Sr(2)-O(8) bond length is 2.90 Å. There is one shorter (2.52 Å) and one longer (2.76 Å) Sr(2)-O(1) bond length. There is one shorter (2.67 Å) and one longer (2.79 Å) Sr(2)-O(11) bond length. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(9), and two equivalent O(2) atoms. The Ca(1)-O(1) bond length is 2.36 Å. The Ca(1)-O(10) bond length is 2.35 Å. The Ca(1)-O(5) bond length is 2.63 Å. The Ca(1)-O(9) bond length is 2.41 Å. There is one shorter (2.32 Å) and one longer (2.58 Å) Ca(1)-O(2) bond length. 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, and corners with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. The Ti(1)-N(1) bond length is 1.98 Å. The Ti(1)-O(11) bond length is 2.03 Å. The Ti(1)-O(3) bond length is 1.84 Å. There is one shorter (1.96 Å) and one longer (2.02 Å) Ti(1)-O(4) bond length. 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 1.91 Å. The Ti(2)-O(1) bond length is 1.84 Å. The Ti(2)-O(2) bond length is 2.59 Å. The Ti(2)-O(7) bond length is 2.11 Å. There is one shorter (1.95 Å) and one longer (2.01 Å) Ti(2)-O(5) bond length. 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 distorted 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 29°. The Ti(3)-O(2) bond length is 1.87 Å. The Ti(3)-O(3) bond length is 1.99 Å. The Ti(3)-O(7) bond length is 2.16 Å. The Ti(3)-O(8) bond length is 2.15 Å. There is one shorter (2.01 Å) and one longer (2.03 Å) Ti(3)-O(6) bond length. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom. The Ti(4)-N(2) bond length is 1.89 Å. There is one shorter (2.01 Å) and one longer (2.07 Å) Ti(4)-N(1) bond length. The Ti(4)-O(4) bond length is 2.16 Å. The Ti(4)-O(5) bond length is 2.50 Å. The Ti(4)-O(9) bond length is 2.02 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, 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 1.81 Å. The Ti(5)-O(5) bond length is 2.22 Å. The Ti(5)-O(6) bond length is 2.20 Å. The Ti(5)-O(9) bond length is 1.89 Å. There is one shorter (2.01 Å) and one longer (2.04 Å) Ti(5)-O(7) bond length. 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(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 are 66°. The Ti(6)-N(2) bond length is 1.84 Å. The Ti(6)-O(11) bond length is 1.97 Å. The Ti(6)-O(6) bond length is 2.06 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Ti(6)-O(8) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra,  a cornercorner with one O(7)Ti4 tetrahedra, and corners with two equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. 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 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(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 Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra, corners with two equivalent O(6)Ti4 tetrahedra, and edges with two equivalent O(7)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one N(1)Ti4 tetrahedra, corners with two equivalent O(7)Ti4 tetrahedra, and edges with two equivalent O(6)Ti4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(6) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one N(1)Ti4 tetrahedra,  a cornercorner with one O(6)Ti4 tetrahedra, and edges with two equivalent O(11)Sr4Ti2 octahedra.