Ti13Al4Si2(SbO14)2 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(7), one O(8), and two equivalent O(1) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid,  an edgeedge with one Ti(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-67°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(7) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-67°. In the third Ti site, Ti(3) is bonded to two equivalent O(8) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Ti(5)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. Al(1) is bonded to one O(1), one O(5), and three equivalent O(2) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-69°. Si(1) is bonded to one O(3), one O(4), and two equivalent O(7) atoms to form SiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and corners with six equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-66°. Sb(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SbO6 octahedra that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Ti(1) and three equivalent Al(1) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(8)Ti3Sb trigonal pyramid, corners with two equivalent O(2)TiAl3 trigonal pyramids, and edges with two equivalent O(2)TiAl3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ti(2) and one Si(1) atom. In the fourth O site, O(4) is bonded to one Ti(4), two equivalent Ti(5), and one Si(1) atom to form distorted OTi3Si tetrahedra that share  a cornercorner with one O(4)Ti3Si tetrahedra, corners with four equivalent O(6)Ti3Sb tetrahedra, corners with four equivalent O(8)Ti3Sb trigonal pyramids,  an edgeedge with one O(4)Ti3Si tetrahedra, and edges with two equivalent O(6)Ti3Sb tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ti(3), one Al(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(4), one Ti(5), and one Sb(1) atom to form distorted OTi3Sb tetrahedra that share corners with two equivalent O(4)Ti3Si tetrahedra, corners with three equivalent O(6)Ti3Sb tetrahedra, corners with two equivalent O(8)Ti3Sb trigonal pyramids,  an edgeedge with one O(6)Ti3Sb tetrahedra,  an edgeedge with one O(4)Ti3Si tetrahedra, and  an edgeedge with one O(8)Ti3Sb trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent Ti(2), and one Si(1) atom. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(3), one Ti(5), and one Sb(1) atom to form distorted OTi3Sb trigonal pyramids that share corners with two equivalent O(6)Ti3Sb tetrahedra, corners with two equivalent O(4)Ti3Si tetrahedra,  a cornercorner with one O(8)Ti3Sb trigonal pyramid,  a cornercorner with one O(2)TiAl3 trigonal pyramid,  an edgeedge with one O(6)Ti3Sb tetrahedra, and  an edgeedge with one O(8)Ti3Sb trigonal pyramid.
Ti13Al4Si2(SbO14)2 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(7), one O(8), and two equivalent O(1) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Ti(2)O5 trigonal bipyramids, corners with three equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid,  an edgeedge with one Ti(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-67°. The Ti(1)-O(2) bond length is 2.18 Å. The Ti(1)-O(7) bond length is 2.09 Å. The Ti(1)-O(8) bond length is 2.11 Å. There is one shorter (2.05 Å) and one longer (2.20 Å) Ti(1)-O(1) bond length. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(7) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-67°. The Ti(2)-O(1) bond length is 2.04 Å. The Ti(2)-O(3) bond length is 2.12 Å. The Ti(2)-O(6) bond length is 2.15 Å. There is one shorter (2.15 Å) and one longer (2.17 Å) Ti(2)-O(7) bond length. In the third Ti site, Ti(3) is bonded to two equivalent O(8) and four equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. Both Ti(3)-O(8) bond lengths are 2.21 Å. There are two shorter (2.00 Å) and two longer (2.15 Å) Ti(3)-O(5) bond lengths. In the fourth Ti site, Ti(4) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Ti(5)O6 octahedra. Both Ti(4)-O(4) bond lengths are 2.18 Å. All Ti(4)-O(6) bond lengths are 2.20 Å. In the fifth Ti site, Ti(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. Both Ti(5)-O(4) bond lengths are 2.20 Å. Both Ti(5)-O(6) bond lengths are 2.11 Å. Both Ti(5)-O(8) bond lengths are 2.07 Å. Al(1) is bonded to one O(1), one O(5), and three equivalent O(2) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(2)O5 trigonal bipyramid, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O5 trigonal bipyramid, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-69°. The Al(1)-O(1) bond length is 1.78 Å. The Al(1)-O(5) bond length is 1.83 Å. There are two shorter (1.80 Å) and one longer (2.31 Å) Al(1)-O(2) bond length. Si(1) is bonded to one O(3), one O(4), and two equivalent O(7) atoms to form SiO4 tetrahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and corners with six equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-66°. The Si(1)-O(3) bond length is 1.64 Å. The Si(1)-O(4) bond length is 1.66 Å. Both Si(1)-O(7) bond lengths are 1.65 Å. Sb(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SbO6 octahedra that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(5)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. Both Sb(1)-O(5) bond lengths are 2.59 Å. Both Sb(1)-O(6) bond lengths are 2.13 Å. Both Sb(1)-O(8) bond lengths are 2.33 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Ti(1) and three equivalent Al(1) atoms to form distorted OTiAl3 trigonal pyramids that share  a cornercorner with one O(8)Ti3Sb trigonal pyramid, corners with two equivalent O(2)TiAl3 trigonal pyramids, and edges with two equivalent O(2)TiAl3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ti(2) and one Si(1) atom. In the fourth O site, O(4) is bonded to one Ti(4), two equivalent Ti(5), and one Si(1) atom to form distorted OTi3Si tetrahedra that share  a cornercorner with one O(4)Ti3Si tetrahedra, corners with four equivalent O(6)Ti3Sb tetrahedra, corners with four equivalent O(8)Ti3Sb trigonal pyramids,  an edgeedge with one O(4)Ti3Si tetrahedra, and edges with two equivalent O(6)Ti3Sb tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ti(3), one Al(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(4), one Ti(5), and one Sb(1) atom to form distorted OTi3Sb tetrahedra that share corners with two equivalent O(4)Ti3Si tetrahedra, corners with three equivalent O(6)Ti3Sb tetrahedra, corners with two equivalent O(8)Ti3Sb trigonal pyramids,  an edgeedge with one O(6)Ti3Sb tetrahedra,  an edgeedge with one O(4)Ti3Si tetrahedra, and  an edgeedge with one O(8)Ti3Sb trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ti(1), two equivalent Ti(2), and one Si(1) atom. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(3), one Ti(5), and one Sb(1) atom to form distorted OTi3Sb trigonal pyramids that share corners with two equivalent O(6)Ti3Sb tetrahedra, corners with two equivalent O(4)Ti3Si tetrahedra,  a cornercorner with one O(8)Ti3Sb trigonal pyramid,  a cornercorner with one O(2)TiAl3 trigonal pyramid,  an edgeedge with one O(6)Ti3Sb tetrahedra, and  an edgeedge with one O(8)Ti3Sb trigonal pyramid.