The compound described by Fe2TiO5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(6), one O(9), and three equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. In the second Ti site, Ti(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-54°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(9), and three equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(5), one O(9), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), two equivalent O(2), and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(1) atoms. In the second O site, O(8) is bonded to one Ti(2), one Fe(1), and two equivalent Fe(4) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe4 trigonal pyramid,  a cornercorner with one O(4)Ti4 trigonal pyramid, corners with two equivalent O(8)TiFe3 trigonal pyramids, edges with two equivalent O(10)Ti3Fe tetrahedra, and edges with two equivalent O(1)Fe4 trigonal pyramids. In the third O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(10) is bonded to one Ti(1), two equivalent Ti(2), and one Fe(4) atom to form distorted OTi3Fe tetrahedra that share corners with two equivalent O(10)Ti3Fe tetrahedra,  a cornercorner with one O(1)Fe4 trigonal pyramid,  a cornercorner with one O(4)Ti4 trigonal pyramid, edges with two equivalent O(4)Ti4 trigonal pyramids, and edges with two equivalent O(8)TiFe3 trigonal pyramids. In the fifth O site, O(1) is bonded to one Fe(3), one Fe(4), and two equivalent Fe(1) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Fe tetrahedra,  a cornercorner with one O(5)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe4 trigonal pyramids, edges with two equivalent O(3)Fe4 trigonal pyramids, and edges with two equivalent O(8)TiFe3 trigonal pyramids. In the sixth O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(4) atoms. In the seventh O site, O(3) is bonded to one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(5)Fe4 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(3)Fe4 trigonal pyramids, edges with two equivalent O(1)Fe4 trigonal pyramids, and edges with two equivalent O(5)Fe4 trigonal pyramids. In the eighth O site, O(4) is bonded to one Ti(2) and three equivalent Ti(1) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Fe tetrahedra,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(4)Ti4 trigonal pyramids, edges with two equivalent O(10)Ti3Fe tetrahedra, and edges with two equivalent O(4)Ti4 trigonal pyramids. In the ninth O site, O(5) is bonded to one Fe(3) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the tenth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.318
_cell_length_b   11.318
_cell_length_c   9.937
_cell_angle_alpha   64.839
_cell_angle_beta   64.839
_cell_angle_gamma   19.345
_symmetry_Int_Tables_number   1
_cell_volume   380.407
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.281  0.281  0.851  1.0
  Ti  Ti1  1  0.123  0.123  0.062  1.0
  Ti  Ti2  1  0.877  0.877  0.938  1.0
  Ti  Ti3  1  0.719  0.719  0.149  1.0
  Fe  Fe4  1  0.968  0.968  0.174  1.0
  Fe  Fe5  1  0.783  0.783  0.361  1.0
  Fe  Fe6  1  0.624  0.624  0.566  1.0
  Fe  Fe7  1  0.032  0.032  0.826  1.0
  Fe  Fe8  1  0.473  0.473  0.664  1.0
  Fe  Fe9  1  0.376  0.376  0.434  1.0
  Fe  Fe10  1  0.217  0.217  0.639  1.0
  Fe  Fe11  1  0.527  0.527  0.336  1.0
  O  O12  1  0.535  0.535  0.774  1.0
  O  O13  1  0.441  0.441  0.511  1.0
  O  O14  1  0.465  0.465  0.226  1.0
  O  O15  1  0.124  0.124  0.637  1.0
  O  O16  1  0.785  0.785  0.902  1.0
  O  O17  1  0.286  0.286  0.408  1.0
  O  O18  1  0.808  0.808  0.140  1.0
  O  O19  1  0.215  0.215  0.098  1.0
  O  O20  1  0.939  0.939  0.012  1.0
  O  O21  1  0.957  0.957  0.737  1.0
  O  O22  1  0.876  0.876  0.363  1.0
  O  O23  1  0.691  0.691  0.346  1.0
  O  O24  1  0.309  0.309  0.654  1.0
  O  O25  1  0.714  0.714  0.592  1.0
  O  O26  1  0.559  0.559  0.489  1.0
  O  O27  1  0.192  0.192  0.860  1.0
  O  O28  1  0.632  0.632  0.115  1.0
  O  O29  1  0.043  0.043  0.263  1.0
  O  O30  1  0.061  0.061  0.988  1.0
  O  O31  1  0.368  0.368  0.885  1.0
[/CIF]
.
The compound described by Fe2TiO5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(6), one O(9), and three equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. In the second Ti site, Ti(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-54°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(9), and three equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(5), one O(9), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. In the fourth Fe site, Fe(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), two equivalent O(2), and two equivalent O(8) atoms. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(1) atoms. In the second O site, O(8) is bonded to one Ti(2), one Fe(1), and two equivalent Fe(4) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe4 trigonal pyramid,  a cornercorner with one O(4)Ti4 trigonal pyramid, corners with two equivalent O(8)TiFe3 trigonal pyramids, edges with two equivalent O(10)Ti3Fe tetrahedra, and edges with two equivalent O(1)Fe4 trigonal pyramids. In the third O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(10) is bonded to one Ti(1), two equivalent Ti(2), and one Fe(4) atom to form distorted OTi3Fe tetrahedra that share corners with two equivalent O(10)Ti3Fe tetrahedra,  a cornercorner with one O(1)Fe4 trigonal pyramid,  a cornercorner with one O(4)Ti4 trigonal pyramid, edges with two equivalent O(4)Ti4 trigonal pyramids, and edges with two equivalent O(8)TiFe3 trigonal pyramids. In the fifth O site, O(1) is bonded to one Fe(3), one Fe(4), and two equivalent Fe(1) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Fe tetrahedra,  a cornercorner with one O(5)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe4 trigonal pyramids, edges with two equivalent O(3)Fe4 trigonal pyramids, and edges with two equivalent O(8)TiFe3 trigonal pyramids. In the sixth O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(4) atoms. In the seventh O site, O(3) is bonded to one Fe(1), one Fe(2), and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(5)Fe4 trigonal pyramid,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(3)Fe4 trigonal pyramids, edges with two equivalent O(1)Fe4 trigonal pyramids, and edges with two equivalent O(5)Fe4 trigonal pyramids. In the eighth O site, O(4) is bonded to one Ti(2) and three equivalent Ti(1) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(10)Ti3Fe tetrahedra,  a cornercorner with one O(8)TiFe3 trigonal pyramid, corners with two equivalent O(4)Ti4 trigonal pyramids, edges with two equivalent O(10)Ti3Fe tetrahedra, and edges with two equivalent O(4)Ti4 trigonal pyramids. In the ninth O site, O(5) is bonded to one Fe(3) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the tenth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Fe(2) atom. is represented by the CIF file [CIF]
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.318
_cell_length_b   11.318
_cell_length_c   9.937
_cell_angle_alpha   64.839
_cell_angle_beta   64.839
_cell_angle_gamma   19.345
_symmetry_Int_Tables_number   1
_cell_volume   380.407
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.281  0.281  0.851  1.0
  Ti  Ti1  1  0.123  0.123  0.062  1.0
  Ti  Ti2  1  0.877  0.877  0.938  1.0
  Ti  Ti3  1  0.719  0.719  0.149  1.0
  Fe  Fe4  1  0.968  0.968  0.174  1.0
  Fe  Fe5  1  0.783  0.783  0.361  1.0
  Fe  Fe6  1  0.624  0.624  0.566  1.0
  Fe  Fe7  1  0.032  0.032  0.826  1.0
  Fe  Fe8  1  0.473  0.473  0.664  1.0
  Fe  Fe9  1  0.376  0.376  0.434  1.0
  Fe  Fe10  1  0.217  0.217  0.639  1.0
  Fe  Fe11  1  0.527  0.527  0.336  1.0
  O  O12  1  0.535  0.535  0.774  1.0
  O  O13  1  0.441  0.441  0.511  1.0
  O  O14  1  0.465  0.465  0.226  1.0
  O  O15  1  0.124  0.124  0.637  1.0
  O  O16  1  0.785  0.785  0.902  1.0
  O  O17  1  0.286  0.286  0.408  1.0
  O  O18  1  0.808  0.808  0.140  1.0
  O  O19  1  0.215  0.215  0.098  1.0
  O  O20  1  0.939  0.939  0.012  1.0
  O  O21  1  0.957  0.957  0.737  1.0
  O  O22  1  0.876  0.876  0.363  1.0
  O  O23  1  0.691  0.691  0.346  1.0
  O  O24  1  0.309  0.309  0.654  1.0
  O  O25  1  0.714  0.714  0.592  1.0
  O  O26  1  0.559  0.559  0.489  1.0
  O  O27  1  0.192  0.192  0.860  1.0
  O  O28  1  0.632  0.632  0.115  1.0
  O  O29  1  0.043  0.043  0.263  1.0
  O  O30  1  0.061  0.061  0.988  1.0
  O  O31  1  0.368  0.368  0.885  1.0
[/CIF]
.