The compound described by Li2FeTiO4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the third Li site, Li(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with three equivalent O(1)Li3TiFe2 octahedra, corners with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Ti2Fe octahedra, and edges with four equivalent O(4)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with three equivalent O(1)Li3TiFe2 octahedra, corners with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Ti2Fe octahedra, and edges with four equivalent O(4)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with three equivalent O(3)Li3Ti2Fe octahedra, corners with three equivalent O(4)Li3Ti2Fe octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra, edges with three equivalent O(4)Li3Ti2Fe octahedra, edges with four equivalent O(1)Li3TiFe2 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Fe(1) atom to form OLi3Ti2Fe octahedra that share corners with three equivalent O(3)Li3Ti2Fe octahedra, corners with three equivalent O(4)Li3Ti2Fe octahedra,  an edgeedge with one O(4)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3Ti2Fe octahedra, edges with four equivalent O(1)Li3TiFe2 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.979
_cell_length_c   6.009
_cell_angle_alpha   60.145
_cell_angle_beta   107.315
_cell_angle_gamma   89.931
_symmetry_Int_Tables_number   1
_cell_volume   154.055
_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
  Li  Li0  1  0.000  0.500  1.000  1.0
  Li  Li1  1  0.000  0.000  1.000  1.0
  Li  Li2  1  0.499  0.747  0.999  1.0
  Li  Li3  1  0.502  0.253  0.001  1.0
  Ti  Ti4  1  0.524  0.746  0.508  1.0
  Ti  Ti5  1  0.476  0.254  0.492  1.0
  Fe  Fe6  1  0.000  1.000  0.500  1.0
  Fe  Fe7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.255  0.643  0.714  1.0
  O  O9  1  0.280  0.131  0.738  1.0
  O  O10  1  0.745  0.357  0.286  1.0
  O  O11  1  0.720  0.869  0.262  1.0
  O  O12  1  0.724  0.388  0.733  1.0
  O  O13  1  0.724  0.878  0.733  1.0
  O  O14  1  0.276  0.612  0.267  1.0
  O  O15  1  0.276  0.122  0.267  1.0
[/CIF]
.
The compound described by Li2FeTiO4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the third Li site, Li(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with three equivalent O(1)Li3TiFe2 octahedra, corners with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li3TiFe2 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Ti2Fe octahedra, and edges with four equivalent O(4)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with three equivalent O(1)Li3TiFe2 octahedra, corners with three equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Ti2Fe octahedra, and edges with four equivalent O(4)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Fe(2) atom to form OLi3Ti2Fe octahedra that share corners with three equivalent O(3)Li3Ti2Fe octahedra, corners with three equivalent O(4)Li3Ti2Fe octahedra,  an edgeedge with one O(3)Li3Ti2Fe octahedra, edges with three equivalent O(4)Li3Ti2Fe octahedra, edges with four equivalent O(1)Li3TiFe2 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Ti(1), and one Fe(1) atom to form OLi3Ti2Fe octahedra that share corners with three equivalent O(3)Li3Ti2Fe octahedra, corners with three equivalent O(4)Li3Ti2Fe octahedra,  an edgeedge with one O(4)Li3Ti2Fe octahedra, edges with three equivalent O(3)Li3Ti2Fe octahedra, edges with four equivalent O(1)Li3TiFe2 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.979
_cell_length_c   6.009
_cell_angle_alpha   60.145
_cell_angle_beta   107.315
_cell_angle_gamma   89.931
_symmetry_Int_Tables_number   1
_cell_volume   154.055
_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
  Li  Li0  1  0.000  0.500  1.000  1.0
  Li  Li1  1  0.000  0.000  1.000  1.0
  Li  Li2  1  0.499  0.747  0.999  1.0
  Li  Li3  1  0.502  0.253  0.001  1.0
  Ti  Ti4  1  0.524  0.746  0.508  1.0
  Ti  Ti5  1  0.476  0.254  0.492  1.0
  Fe  Fe6  1  0.000  1.000  0.500  1.0
  Fe  Fe7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.255  0.643  0.714  1.0
  O  O9  1  0.280  0.131  0.738  1.0
  O  O10  1  0.745  0.357  0.286  1.0
  O  O11  1  0.720  0.869  0.262  1.0
  O  O12  1  0.724  0.388  0.733  1.0
  O  O13  1  0.724  0.878  0.733  1.0
  O  O14  1  0.276  0.612  0.267  1.0
  O  O15  1  0.276  0.122  0.267  1.0
[/CIF]
.