Ti3Fe3(SbO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Fe(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Sb(2) atom.
Ti3Fe3(SbO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Ti(1)-O(11) bond length is 2.01 Å. The Ti(1)-O(2) bond length is 2.02 Å. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.93 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 2.03 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Ti(2)-O(10) bond length is 2.03 Å. The Ti(2)-O(5) bond length is 1.91 Å. Both Ti(2)-O(1) bond lengths are 2.00 Å. Both Ti(2)-O(9) bond lengths are 2.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-O(4) bond length is 2.00 Å. Both Fe(1)-O(11) bond lengths are 2.05 Å. Both Fe(1)-O(6) bond lengths are 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(10) bond length is 1.97 Å. The Fe(2)-O(12) bond length is 2.04 Å. The Fe(2)-O(5) bond length is 1.97 Å. The Fe(2)-O(8) bond length is 2.02 Å. The Fe(2)-O(9) bond length is 2.09 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Sb(1)-O(2) bond length is 2.06 Å. The Sb(1)-O(8) bond length is 1.98 Å. Both Sb(1)-O(1) bond lengths are 2.00 Å. Both Sb(1)-O(6) bond lengths are 2.04 Å. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Sb(2)-O(12) bond length is 2.03 Å. The Sb(2)-O(7) bond length is 2.03 Å. Both Sb(2)-O(11) bond lengths are 2.00 Å. Both Sb(2)-O(9) bond lengths are 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Fe(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Sb(2) atom.