The structure described by Fe2TiO5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and three equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra, corners with three equivalent O(1)TiFe3 trigonal pyramids, edges with two equivalent O(3)Ti2Fe2 tetrahedra, and edges with two equivalent O(1)TiFe3 trigonal pyramids. 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 to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with two equivalent O(1)TiFe3 trigonal pyramids, and edges with four equivalent O(1)TiFe3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   5.330
_cell_length_c   10.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.858
_symmetry_Int_Tables_number   1
_cell_volume   189.538
_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  0.181  0.363  0.750  1.0
  Ti  Ti1  1  0.819  0.637  0.250  1.0
  Fe  Fe2  1  0.141  0.281  0.440  1.0
  Fe  Fe3  1  0.859  0.719  0.560  1.0
  Fe  Fe4  1  0.859  0.719  0.940  1.0
  Fe  Fe5  1  0.141  0.281  0.060  1.0
  O  O6  1  0.306  0.612  0.579  1.0
  O  O7  1  0.694  0.388  0.421  1.0
  O  O8  1  0.694  0.388  0.079  1.0
  O  O9  1  0.306  0.612  0.921  1.0
  O  O10  1  0.047  0.094  0.620  1.0
  O  O11  1  0.953  0.906  0.380  1.0
  O  O12  1  0.746  0.492  0.750  1.0
  O  O13  1  0.254  0.508  0.250  1.0
  O  O14  1  0.953  0.906  0.120  1.0
  O  O15  1  0.047  0.094  0.880  1.0
[/CIF]
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The structure described by Fe2TiO5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmcm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1) and three equivalent Fe(1) atoms to form OTiFe3 trigonal pyramids that share  a cornercorner with one O(3)Ti2Fe2 tetrahedra, corners with three equivalent O(1)TiFe3 trigonal pyramids, edges with two equivalent O(3)Ti2Fe2 tetrahedra, and edges with two equivalent O(1)TiFe3 trigonal pyramids. 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 to two equivalent Ti(1) and two equivalent Fe(1) atoms to form distorted OTi2Fe2 tetrahedra that share corners with two equivalent O(3)Ti2Fe2 tetrahedra, corners with two equivalent O(1)TiFe3 trigonal pyramids, and edges with four equivalent O(1)TiFe3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   5.330
_cell_length_c   10.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.858
_symmetry_Int_Tables_number   1
_cell_volume   189.538
_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  0.181  0.363  0.750  1.0
  Ti  Ti1  1  0.819  0.637  0.250  1.0
  Fe  Fe2  1  0.141  0.281  0.440  1.0
  Fe  Fe3  1  0.859  0.719  0.560  1.0
  Fe  Fe4  1  0.859  0.719  0.940  1.0
  Fe  Fe5  1  0.141  0.281  0.060  1.0
  O  O6  1  0.306  0.612  0.579  1.0
  O  O7  1  0.694  0.388  0.421  1.0
  O  O8  1  0.694  0.388  0.079  1.0
  O  O9  1  0.306  0.612  0.921  1.0
  O  O10  1  0.047  0.094  0.620  1.0
  O  O11  1  0.953  0.906  0.380  1.0
  O  O12  1  0.746  0.492  0.750  1.0
  O  O13  1  0.254  0.508  0.250  1.0
  O  O14  1  0.953  0.906  0.120  1.0
  O  O15  1  0.047  0.094  0.880  1.0
[/CIF]
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