The structure described by LiFeTiO4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-78°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-17°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-24°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2TiFe2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Li(1), two equivalent Ti(1), and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2TiFe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.444
_cell_length_c   5.449
_cell_angle_alpha   137.444
_cell_angle_beta   137.049
_cell_angle_gamma   62.054
_symmetry_Int_Tables_number   1
_cell_volume   73.639
_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
  Li  Li0  1  0.460  0.417  0.959  1.0
  Ti  Ti1  1  0.741  0.232  0.506  1.0
  Fe  Fe2  1  0.991  0.949  0.959  1.0
  O  O3  1  0.521  0.982  0.460  1.0
  O  O4  1  0.208  0.175  0.963  1.0
  O  O5  1  0.946  0.404  0.458  1.0
  O  O6  1  0.765  0.722  0.957  1.0
[/CIF]
.
The structure described by LiFeTiO4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-78°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-17°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-24°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2TiFe2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Li(1), two equivalent Ti(1), and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OLi2TiFe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.444
_cell_length_c   5.449
_cell_angle_alpha   137.444
_cell_angle_beta   137.049
_cell_angle_gamma   62.054
_symmetry_Int_Tables_number   1
_cell_volume   73.639
_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
  Li  Li0  1  0.460  0.417  0.959  1.0
  Ti  Ti1  1  0.741  0.232  0.506  1.0
  Fe  Fe2  1  0.991  0.949  0.959  1.0
  O  O3  1  0.521  0.982  0.460  1.0
  O  O4  1  0.208  0.175  0.963  1.0
  O  O5  1  0.946  0.404  0.458  1.0
  O  O6  1  0.765  0.722  0.957  1.0
[/CIF]
.