The structure described by FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(15), one O(16), one O(5), and one O(9) atom to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(15), one O(16), one O(2), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fourth Ti site, Ti(4) is bonded to one O(12), one O(13), one O(14), one O(4), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(1)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(1), one O(13), one O(4), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-27°. In the third Fe site, Fe(3) is bonded to one O(12), one O(16), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-26°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(2), one O(3), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Ti(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(1), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(2), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(4), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Fe(4) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.806
_cell_length_b   3.823
_cell_length_c   5.522
_cell_angle_alpha   110.235
_cell_angle_beta   110.120
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   70.130
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.999  0.999  0.999  1.0
  O  O1  1  0.955  0.456  0.911  1.0
  O  O2  1  0.544  0.044  0.088  1.0
  O  O3  1  0.796  0.796  0.592  1.0
  O  O4  1  0.205  0.204  0.408  1.0
  Ti  Ti5  1  0.751  0.251  0.501  1.0
[/CIF]
.
The structure described by FeTiO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(15), one O(16), one O(5), and one O(9) atom to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(15), one O(16), one O(2), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fourth Ti site, Ti(4) is bonded to one O(12), one O(13), one O(14), one O(4), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(1)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(1), one O(13), one O(4), one O(7), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-27°. In the third Fe site, Fe(3) is bonded to one O(12), one O(16), one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-26°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(14), one O(2), one O(3), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Ti(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(1), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(2), one Fe(1), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(3), one Fe(2), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(4), one Fe(2), and one Fe(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(4), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Fe(4) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.806
_cell_length_b   3.823
_cell_length_c   5.522
_cell_angle_alpha   110.235
_cell_angle_beta   110.120
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   70.130
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.999  0.999  0.999  1.0
  O  O1  1  0.955  0.456  0.911  1.0
  O  O2  1  0.544  0.044  0.088  1.0
  O  O3  1  0.796  0.796  0.592  1.0
  O  O4  1  0.205  0.204  0.408  1.0
  Ti  Ti5  1  0.751  0.251  0.501  1.0
[/CIF]
.