Ti3Sn7O20 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with four equivalent Sn(3)O6 octahedra, corners with four equivalent Sn(4)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with eight equivalent Sn(1)O6 octahedra and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Sn(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Sn site, Sn(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with eight equivalent Sn(3)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third Sn site, Sn(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and  an edgeedge with one Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Sn site, Sn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Sn(1)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 48-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), 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(2) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(2), one Sn(1), and one Sn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(3), and one Sn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sn(2) and two equivalent Sn(3) atoms.
Ti3Sn7O20 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with four equivalent Sn(3)O6 octahedra, corners with four equivalent Sn(4)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Both Ti(1)-O(1) bond lengths are 1.98 Å. Both Ti(1)-O(3) bond lengths are 1.99 Å. Both Ti(1)-O(5) bond lengths are 2.00 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with eight equivalent Sn(1)O6 octahedra and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Both Ti(2)-O(2) bond lengths are 2.01 Å. All Ti(2)-O(4) bond lengths are 1.99 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Sn(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. Both Sn(1)-O(2) bond lengths are 2.09 Å. Both Sn(1)-O(3) bond lengths are 2.10 Å. Both Sn(1)-O(4) bond lengths are 2.09 Å. In the second Sn site, Sn(2) is bonded to two equivalent O(6) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with eight equivalent Sn(3)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Both Sn(2)-O(6) bond lengths are 2.07 Å. All Sn(2)-O(1) bond lengths are 2.10 Å. In the third Sn site, Sn(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and  an edgeedge with one Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. Both Sn(3)-O(1) bond lengths are 2.10 Å. Both Sn(3)-O(5) bond lengths are 2.08 Å. Both Sn(3)-O(6) bond lengths are 2.08 Å. In the fourth Sn site, Sn(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Sn(1)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 48-54°. Both Sn(4)-O(3) bond lengths are 2.09 Å. Both Sn(4)-O(4) bond lengths are 2.09 Å. Both Sn(4)-O(5) bond lengths are 2.09 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), 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(2) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(2), one Sn(1), and one Sn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(3), and one Sn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sn(2) and two equivalent Sn(3) atoms.