TiSnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Ti site, Ti(3) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second Sn site, Sn(2) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third Sn site, Sn(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Sn(2), and one Sn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(2), and one Sn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(1), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Sn(1) atom.
TiSnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Ti(1)-O(4) bond length is 1.99 Å. The Ti(1)-O(5) bond length is 1.86 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 2.16 Å. Both Ti(1)-O(2) bond lengths are 1.99 Å. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Ti(2)-O(5) bond length is 2.30 Å. The Ti(2)-O(7) bond length is 1.86 Å. Both Ti(2)-O(1) bond lengths are 1.98 Å. Both Ti(2)-O(9) bond lengths are 1.97 Å. In the third Ti site, Ti(3) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Ti(3)-O(3) bond length is 1.96 Å. The Ti(3)-O(5) bond length is 1.96 Å. The Ti(3)-O(6) bond length is 1.99 Å. The Ti(3)-O(8) bond length is 2.01 Å. Both Ti(3)-O(9) bond lengths are 2.03 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(8) bond length is 2.09 Å. Both Sn(1)-O(2) bond lengths are 2.09 Å. Both Sn(1)-O(9) bond lengths are 2.09 Å. In the second Sn site, Sn(2) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. The Sn(2)-O(3) bond length is 2.09 Å. The Sn(2)-O(4) bond length is 2.10 Å. The Sn(2)-O(7) bond length is 2.10 Å. The Sn(2)-O(8) bond length is 2.09 Å. Both Sn(2)-O(1) bond lengths are 2.07 Å. In the third Sn site, Sn(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Sn(3)-O(3) bond length is 2.09 Å. The Sn(3)-O(6) bond length is 2.11 Å. Both Sn(3)-O(1) bond lengths are 2.07 Å. Both Sn(3)-O(2) bond lengths are 2.08 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Sn(2), and one Sn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(2), and one Sn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(1), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Sn(1) atom.