The compound described by FeTi2O5 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ti(1) and one Fe(1) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 trigonal pyramid, corners with three equivalent O(1)Ti3Fe trigonal pyramids, edges with two equivalent O(3)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(1)Ti3Fe trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)Ti2Fe2 trigonal pyramids, corners with two equivalent O(1)Ti3Fe trigonal pyramids, and edges with four equivalent O(1)Ti3Fe trigonal pyramids. is represented by the CIF file [CIF]
data_Ti2FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.760
_cell_length_b   5.209
_cell_length_c   10.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.167
_symmetry_Int_Tables_number   1
_cell_volume   183.941
_cell_formula_units_Z   2
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  0.136  0.271  0.067  1.0
  Ti  Ti1  1  0.864  0.729  0.933  1.0
  Ti  Ti2  1  0.864  0.729  0.567  1.0
  Ti  Ti3  1  0.136  0.271  0.433  1.0
  Fe  Fe4  1  0.808  0.615  0.250  1.0
  Fe  Fe5  1  0.192  0.385  0.750  1.0
  O  O6  1  0.314  0.628  0.559  1.0
  O  O7  1  0.686  0.372  0.440  1.0
  O  O8  1  0.686  0.372  0.060  1.0
  O  O9  1  0.314  0.628  0.941  1.0
  O  O10  1  0.047  0.093  0.614  1.0
  O  O11  1  0.953  0.907  0.386  1.0
  O  O12  1  0.790  0.580  0.750  1.0
  O  O13  1  0.210  0.420  0.250  1.0
  O  O14  1  0.953  0.907  0.114  1.0
  O  O15  1  0.047  0.093  0.886  1.0
[/CIF]
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The compound described by FeTi2O5 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ti(1) and one Fe(1) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 trigonal pyramid, corners with three equivalent O(1)Ti3Fe trigonal pyramids, edges with two equivalent O(3)Ti2Fe2 trigonal pyramids, and edges with two equivalent O(1)Ti3Fe trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 trigonal pyramids that share corners with two equivalent O(3)Ti2Fe2 trigonal pyramids, corners with two equivalent O(1)Ti3Fe trigonal pyramids, and edges with four equivalent O(1)Ti3Fe trigonal pyramids. is represented by the CIF file [CIF]
data_Ti2FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.760
_cell_length_b   5.209
_cell_length_c   10.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.167
_symmetry_Int_Tables_number   1
_cell_volume   183.941
_cell_formula_units_Z   2
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  0.136  0.271  0.067  1.0
  Ti  Ti1  1  0.864  0.729  0.933  1.0
  Ti  Ti2  1  0.864  0.729  0.567  1.0
  Ti  Ti3  1  0.136  0.271  0.433  1.0
  Fe  Fe4  1  0.808  0.615  0.250  1.0
  Fe  Fe5  1  0.192  0.385  0.750  1.0
  O  O6  1  0.314  0.628  0.559  1.0
  O  O7  1  0.686  0.372  0.440  1.0
  O  O8  1  0.686  0.372  0.060  1.0
  O  O9  1  0.314  0.628  0.941  1.0
  O  O10  1  0.047  0.093  0.614  1.0
  O  O11  1  0.953  0.907  0.386  1.0
  O  O12  1  0.790  0.580  0.750  1.0
  O  O13  1  0.210  0.420  0.250  1.0
  O  O14  1  0.953  0.907  0.114  1.0
  O  O15  1  0.047  0.093  0.886  1.0
[/CIF]
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