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 8-coordinate geometry to 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 7-coordinate geometry to one N(1), two equivalent N(2), one O(1), one O(11), and two equivalent O(9) 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 in a 5-coordinate geometry to one N(1), one O(1), one O(11), and two equivalent O(4) atoms. In the second Ti site, Ti(2) is bonded to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms to form corner-sharing TiNO5 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms. 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 in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. 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 corner-sharing TiNO4 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a 4-coordinate 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 one Sr(2), one Ca(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one Ti(2), and one Ti(3) atom to form distorted OCa2Ti2 trigonal pyramids that share corners with two equivalent O(6)Ti4 tetrahedra, corners with two equivalent O(2)Ca2Ti2 trigonal pyramids, edges with two equivalent O(5)CaTi4 trigonal bipyramids, and  an edgeedge with one O(7)Ti4 trigonal pyramid. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form distorted OCaTi4 trigonal bipyramids that share  a cornercorner with one O(6)Ti4 tetrahedra, corners with two equivalent O(5)CaTi4 trigonal bipyramids, edges with two equivalent O(2)Ca2Ti2 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. 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 corners with two equivalent O(6)Ti4 tetrahedra,  a cornercorner with one O(5)CaTi4 trigonal bipyramid, corners with two equivalent O(2)Ca2Ti2 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. 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 trigonal pyramids that share corners with two equivalent O(7)Ti4 trigonal pyramids, edges with two equivalent O(6)Ti4 tetrahedra, edges with two equivalent O(5)CaTi4 trigonal bipyramids, and  an edgeedge with one O(2)Ca2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-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 5-coordinate geometry to two equivalent Sr(2), 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 in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(6) atom.
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 8-coordinate geometry to one O(4), one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. The Sr(1)-O(4) bond length is 2.60 Å. The Sr(1)-O(8) bond length is 2.65 Å. There is one shorter (2.51 Å) and one longer (2.91 Å) Sr(1)-O(10) bond length. There is one shorter (2.59 Å) and one longer (2.66 Å) Sr(1)-O(11) bond length. There is one shorter (2.45 Å) and one longer (3.01 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), one O(1), one O(11), and two equivalent O(9) atoms. The Sr(2)-N(1) bond length is 2.72 Å. There is one shorter (2.51 Å) and one longer (2.65 Å) Sr(2)-N(2) bond length. The Sr(2)-O(1) bond length is 2.65 Å. The Sr(2)-O(11) bond length is 2.89 Å. There is one shorter (2.59 Å) and one longer (2.84 Å) Sr(2)-O(9) 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 2.53 Å. The Ca(1)-O(10) bond length is 2.40 Å. The Ca(1)-O(5) bond length is 2.61 Å. The Ca(1)-O(9) bond length is 2.45 Å. There is one shorter (2.23 Å) and one longer (2.56 Å) Ca(1)-O(2) bond length. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one N(1), one O(1), one O(11), and two equivalent O(4) atoms. The Ti(1)-N(1) bond length is 2.08 Å. The Ti(1)-O(1) bond length is 1.85 Å. The Ti(1)-O(11) bond length is 2.05 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Ti(1)-O(4) bond length. In the second Ti site, Ti(2) is bonded to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms to form corner-sharing TiNO5 octahedra. The corner-sharing octahedral tilt angles are 2°. The Ti(2)-N(1) bond length is 1.96 Å. The Ti(2)-O(1) bond length is 2.21 Å. The Ti(2)-O(2) bond length is 2.04 Å. The Ti(2)-O(7) bond length is 1.99 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Ti(2)-O(5) bond length. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms. The Ti(3)-O(2) bond length is 1.97 Å. The Ti(3)-O(3) bond length is 1.75 Å. The Ti(3)-O(7) bond length is 2.55 Å. The Ti(3)-O(8) bond length is 2.07 Å. There is one shorter (2.01 Å) and one longer (2.07 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 1.87 Å. There is one shorter (1.98 Å) and one longer (2.01 Å) Ti(4)-N(1) bond length. The Ti(4)-O(4) bond length is 1.97 Å. The Ti(4)-O(5) bond length is 2.27 Å. The Ti(4)-O(9) bond length is 2.75 Å. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. The Ti(5)-O(10) bond length is 1.81 Å. The Ti(5)-O(5) bond length is 2.31 Å. The Ti(5)-O(6) bond length is 2.56 Å. The Ti(5)-O(9) bond length is 1.83 Å. There is one shorter (2.03 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 corner-sharing TiNO4 trigonal bipyramids. The Ti(6)-N(2) bond length is 1.81 Å. The Ti(6)-O(11) bond length is 1.91 Å. The Ti(6)-O(6) bond length is 2.06 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Ti(6)-O(8) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a 4-coordinate 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 one Sr(2), one Ca(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one Ti(2), and one Ti(3) atom to form distorted OCa2Ti2 trigonal pyramids that share corners with two equivalent O(6)Ti4 tetrahedra, corners with two equivalent O(2)Ca2Ti2 trigonal pyramids, edges with two equivalent O(5)CaTi4 trigonal bipyramids, and  an edgeedge with one O(7)Ti4 trigonal pyramid. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form distorted OCaTi4 trigonal bipyramids that share  a cornercorner with one O(6)Ti4 tetrahedra, corners with two equivalent O(5)CaTi4 trigonal bipyramids, edges with two equivalent O(2)Ca2Ti2 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. 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 corners with two equivalent O(6)Ti4 tetrahedra,  a cornercorner with one O(5)CaTi4 trigonal bipyramid, corners with two equivalent O(2)Ca2Ti2 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. 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 trigonal pyramids that share corners with two equivalent O(7)Ti4 trigonal pyramids, edges with two equivalent O(6)Ti4 tetrahedra, edges with two equivalent O(5)CaTi4 trigonal bipyramids, and  an edgeedge with one O(2)Ca2Ti2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-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 5-coordinate geometry to two equivalent Sr(2), 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 in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(6) atom.