FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P-4m2 space group. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the second Fe site, Fe(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1) and two equivalent Fe(1) atoms. 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 distorted T-shaped geometry to two equivalent Ti(1) and one Fe(2) atom.
FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P-4m2 space group. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. The Ti(1)-O(1) bond length is 2.01 Å. The Ti(1)-O(2) bond length is 2.01 Å. Both Ti(1)-O(3) bond lengths are 1.95 Å. Both Ti(1)-O(4) bond lengths are 1.95 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. Both Fe(1)-O(3) bond lengths are 1.98 Å. All Fe(1)-O(2) bond lengths are 1.94 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. Both Fe(2)-O(4) bond lengths are 1.99 Å. All Fe(2)-O(1) bond lengths are 1.95 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1) and two equivalent Fe(1) atoms. 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 distorted T-shaped geometry to two equivalent Ti(1) and one Fe(2) atom.