The compound described by LiFeTiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Ti(1) atoms to form OLi2Ti3 square pyramids that share corners with two equivalent O(4)Li2Fe3 trigonal bipyramids, corners with two equivalent O(3)LiTi2Fe trigonal pyramids, edges with four equivalent O(2)Li2Ti3 square pyramids,  an edgeedge with one O(4)Li2Fe3 trigonal bipyramid, and edges with three equivalent O(3)LiTi2Fe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share corners with two equivalent O(2)Li2Ti3 square pyramids, corners with five equivalent O(4)Li2Fe3 trigonal bipyramids, corners with two equivalent O(3)LiTi2Fe trigonal pyramids, and edges with three equivalent O(2)Li2Ti3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1) and three equivalent Fe(1) atoms to form OLi2Fe3 trigonal bipyramids that share corners with two equivalent O(2)Li2Ti3 square pyramids, corners with five equivalent O(3)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti3 square pyramid, and edges with four equivalent O(4)Li2Fe3 trigonal bipyramids. is represented by the CIF card [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.948
_cell_length_b   8.999
_cell_length_c   10.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.169
_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
  Li  Li0  1  0.250  0.246  0.633  1.0
  Li  Li1  1  0.250  0.746  0.867  1.0
  Li  Li2  1  0.750  0.754  0.367  1.0
  Li  Li3  1  0.750  0.254  0.133  1.0
  Ti  Ti4  1  0.250  0.086  0.393  1.0
  Ti  Ti5  1  0.250  0.586  0.107  1.0
  Ti  Ti6  1  0.750  0.914  0.607  1.0
  Ti  Ti7  1  0.750  0.414  0.893  1.0
  Fe  Fe8  1  0.250  0.062  0.889  1.0
  Fe  Fe9  1  0.250  0.562  0.611  1.0
  Fe  Fe10  1  0.750  0.938  0.111  1.0
  Fe  Fe11  1  0.750  0.438  0.389  1.0
  O  O12  1  0.250  0.288  0.345  1.0
  O  O13  1  0.250  0.788  0.155  1.0
  O  O14  1  0.750  0.712  0.655  1.0
  O  O15  1  0.750  0.212  0.845  1.0
  O  O16  1  0.250  0.381  0.017  1.0
  O  O17  1  0.250  0.881  0.483  1.0
  O  O18  1  0.750  0.619  0.983  1.0
  O  O19  1  0.750  0.119  0.517  1.0
  O  O20  1  0.250  0.485  0.791  1.0
  O  O21  1  0.250  0.985  0.709  1.0
  O  O22  1  0.750  0.515  0.209  1.0
  O  O23  1  0.750  0.015  0.291  1.0
  O  O24  1  0.250  0.087  0.077  1.0
  O  O25  1  0.250  0.587  0.423  1.0
  O  O26  1  0.750  0.913  0.923  1.0
  O  O27  1  0.750  0.413  0.577  1.0
[/CIF]
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The compound described by LiFeTiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. Ti(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Ti(1) atoms to form OLi2Ti3 square pyramids that share corners with two equivalent O(4)Li2Fe3 trigonal bipyramids, corners with two equivalent O(3)LiTi2Fe trigonal pyramids, edges with four equivalent O(2)Li2Ti3 square pyramids,  an edgeedge with one O(4)Li2Fe3 trigonal bipyramid, and edges with three equivalent O(3)LiTi2Fe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(1), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share corners with two equivalent O(2)Li2Ti3 square pyramids, corners with five equivalent O(4)Li2Fe3 trigonal bipyramids, corners with two equivalent O(3)LiTi2Fe trigonal pyramids, and edges with three equivalent O(2)Li2Ti3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1) and three equivalent Fe(1) atoms to form OLi2Fe3 trigonal bipyramids that share corners with two equivalent O(2)Li2Ti3 square pyramids, corners with five equivalent O(3)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti3 square pyramid, and edges with four equivalent O(4)Li2Fe3 trigonal bipyramids. is represented by the CIF card [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.948
_cell_length_b   8.999
_cell_length_c   10.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.169
_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
  Li  Li0  1  0.250  0.246  0.633  1.0
  Li  Li1  1  0.250  0.746  0.867  1.0
  Li  Li2  1  0.750  0.754  0.367  1.0
  Li  Li3  1  0.750  0.254  0.133  1.0
  Ti  Ti4  1  0.250  0.086  0.393  1.0
  Ti  Ti5  1  0.250  0.586  0.107  1.0
  Ti  Ti6  1  0.750  0.914  0.607  1.0
  Ti  Ti7  1  0.750  0.414  0.893  1.0
  Fe  Fe8  1  0.250  0.062  0.889  1.0
  Fe  Fe9  1  0.250  0.562  0.611  1.0
  Fe  Fe10  1  0.750  0.938  0.111  1.0
  Fe  Fe11  1  0.750  0.438  0.389  1.0
  O  O12  1  0.250  0.288  0.345  1.0
  O  O13  1  0.250  0.788  0.155  1.0
  O  O14  1  0.750  0.712  0.655  1.0
  O  O15  1  0.750  0.212  0.845  1.0
  O  O16  1  0.250  0.381  0.017  1.0
  O  O17  1  0.250  0.881  0.483  1.0
  O  O18  1  0.750  0.619  0.983  1.0
  O  O19  1  0.750  0.119  0.517  1.0
  O  O20  1  0.250  0.485  0.791  1.0
  O  O21  1  0.250  0.985  0.709  1.0
  O  O22  1  0.750  0.515  0.209  1.0
  O  O23  1  0.750  0.015  0.291  1.0
  O  O24  1  0.250  0.087  0.077  1.0
  O  O25  1  0.250  0.587  0.423  1.0
  O  O26  1  0.750  0.913  0.923  1.0
  O  O27  1  0.750  0.413  0.577  1.0
[/CIF]
.