FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(7), one O(8), and two equivalent O(5) atoms to form distorted TiO6 pentagonal pyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 pentagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-27°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-27°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom.
FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(3) bond length is 1.98 Å. The Ti(1)-O(7) bond length is 1.93 Å. The Ti(1)-O(8) bond length is 1.98 Å. Both Ti(1)-O(6) bond lengths are 1.95 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(7), one O(8), and two equivalent O(5) atoms to form distorted TiO6 pentagonal pyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 pentagonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. The Ti(2)-O(2) bond length is 1.98 Å. The Ti(2)-O(4) bond length is 2.02 Å. The Ti(2)-O(7) bond length is 1.92 Å. The Ti(2)-O(8) bond length is 1.97 Å. Both Ti(2)-O(5) bond lengths are 1.97 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 24-27°. The Fe(1)-O(3) bond length is 1.87 Å. The Fe(1)-O(4) bond length is 1.86 Å. The Fe(1)-O(5) bond length is 1.97 Å. The Fe(1)-O(8) bond length is 1.93 Å. Both Fe(1)-O(2) bond lengths are 1.97 Å. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-27°. The Fe(2)-O(3) bond length is 2.03 Å. The Fe(2)-O(4) bond length is 2.03 Å. The Fe(2)-O(6) bond length is 1.95 Å. The Fe(2)-O(7) bond length is 2.03 Å. Both Fe(2)-O(1) bond lengths are 1.95 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom.