The compound described by LiFeTiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) 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 six equivalent O(1)LiTi2Fe trigonal pyramids, corners with six equivalent O(2)LiTiFe2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Fe trigonal pyramid, and edges with two equivalent O(2)LiTiFe2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Fe(1) atoms to form distorted OLiTiFe2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Fe trigonal pyramids, corners with six equivalent O(2)LiTiFe2 trigonal pyramids,  an edgeedge with one O(2)LiTiFe2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   60.153
_cell_angle_beta   60.173
_cell_angle_gamma   60.173
_symmetry_Int_Tables_number   1
_cell_volume   152.202
_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
  Fe  Fe0  1  0.500  0.000  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.879  0.371  0.871  1.0
  Li  Li3  1  0.121  0.629  0.129  1.0
  O  O4  1  0.744  0.786  0.727  1.0
  O  O5  1  0.744  0.227  0.286  1.0
  O  O6  1  0.256  0.773  0.714  1.0
  O  O7  1  0.256  0.214  0.273  1.0
  O  O8  1  0.747  0.232  0.732  1.0
  O  O9  1  0.290  0.232  0.732  1.0
  O  O10  1  0.253  0.768  0.268  1.0
  O  O11  1  0.710  0.768  0.268  1.0
  Ti  Ti12  1  0.000  1.000  0.500  1.0
  Ti  Ti13  1  0.500  1.000  0.500  1.0
[/CIF]
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The compound described by LiFeTiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) 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 six equivalent O(1)LiTi2Fe trigonal pyramids, corners with six equivalent O(2)LiTiFe2 trigonal pyramids,  an edgeedge with one O(1)LiTi2Fe trigonal pyramid, and edges with two equivalent O(2)LiTiFe2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Fe(1) atoms to form distorted OLiTiFe2 trigonal pyramids that share corners with six equivalent O(1)LiTi2Fe trigonal pyramids, corners with six equivalent O(2)LiTiFe2 trigonal pyramids,  an edgeedge with one O(2)LiTiFe2 trigonal pyramid, and edges with two equivalent O(1)LiTi2Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   60.153
_cell_angle_beta   60.173
_cell_angle_gamma   60.173
_symmetry_Int_Tables_number   1
_cell_volume   152.202
_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
  Fe  Fe0  1  0.500  0.000  1.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.879  0.371  0.871  1.0
  Li  Li3  1  0.121  0.629  0.129  1.0
  O  O4  1  0.744  0.786  0.727  1.0
  O  O5  1  0.744  0.227  0.286  1.0
  O  O6  1  0.256  0.773  0.714  1.0
  O  O7  1  0.256  0.214  0.273  1.0
  O  O8  1  0.747  0.232  0.732  1.0
  O  O9  1  0.290  0.232  0.732  1.0
  O  O10  1  0.253  0.768  0.268  1.0
  O  O11  1  0.710  0.768  0.268  1.0
  Ti  Ti12  1  0.000  1.000  0.500  1.0
  Ti  Ti13  1  0.500  1.000  0.500  1.0
[/CIF]
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