The compound described by Li2TiFe2O5 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 one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Ti(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(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 three equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent 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, 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 0-18°. There are six inequivalent O sites. In the first O site, O(1) 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 two equivalent O(4)LiTiFe4 octahedra, corners with four equivalent O(1)Li3Ti2Fe octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with three equivalent O(3)Li3Fe3 octahedra, and edges with three equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to three equivalent Li(1), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(5)Li2Ti2Fe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3Ti2Fe octahedra, and edges with four equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share corners with two equivalent O(2)Li3TiFe2 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3Ti2Fe octahedra, and edges with three equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Ti(1), one Fe(2), and three equivalent Fe(1) atoms to form distorted OLiTiFe4 octahedra that share corners with two equivalent O(6)Li2Ti2Fe2 octahedra, corners with two equivalent O(1)Li3Ti2Fe octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(1)Li3Ti2Fe octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with three equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent Ti(1), and two equivalent Fe(2) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(5)Li2Ti2Fe2 octahedra, corners with four equivalent O(2)Li3TiFe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Ti(1), and two equivalent Fe(2) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(6)Li2Ti2Fe2 octahedra, corners with four equivalent O(4)LiTiFe4 octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li2TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   6.116
_cell_length_c   7.998
_cell_angle_alpha   103.594
_cell_angle_beta   105.260
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   192.893
_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  0.192  0.108  0.391  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.808  0.892  0.609  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.437  0.187  0.798  1.0
  Ti  Ti5  1  0.563  0.813  0.202  1.0
  Fe  Fe6  1  0.795  0.381  0.595  1.0
  Fe  Fe7  1  0.600  0.305  0.199  1.0
  Fe  Fe8  1  0.205  0.619  0.405  1.0
  Fe  Fe9  1  0.400  0.695  0.801  1.0
  O  O10  1  0.883  0.191  0.808  1.0
  O  O11  1  0.694  0.082  0.384  1.0
  O  O12  1  0.110  0.321  0.219  1.0
  O  O13  1  0.305  0.362  0.619  1.0
  O  O14  1  0.890  0.679  0.781  1.0
  O  O15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.695  0.638  0.381  1.0
  O  O17  1  0.117  0.809  0.192  1.0
  O  O18  1  0.306  0.918  0.616  1.0
  O  O19  1  0.500  0.000  0.000  1.0
[/CIF]
.
The compound described by Li2TiFe2O5 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 one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Ti(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(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, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(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 three equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent 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, 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 0-18°. There are six inequivalent O sites. In the first O site, O(1) 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 two equivalent O(4)LiTiFe4 octahedra, corners with four equivalent O(1)Li3Ti2Fe octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with three equivalent O(3)Li3Fe3 octahedra, and edges with three equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to three equivalent Li(1), one Ti(1), one Fe(1), and one Fe(2) atom to form OLi3TiFe2 octahedra that share corners with two equivalent O(5)Li2Ti2Fe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3Ti2Fe octahedra, and edges with four equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share corners with two equivalent O(2)Li3TiFe2 octahedra, corners with four equivalent O(3)Li3Fe3 octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(1)Li3Ti2Fe octahedra, and edges with three equivalent O(4)LiTiFe4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Ti(1), one Fe(2), and three equivalent Fe(1) atoms to form distorted OLiTiFe4 octahedra that share corners with two equivalent O(6)Li2Ti2Fe2 octahedra, corners with two equivalent O(1)Li3Ti2Fe octahedra, corners with two equivalent O(4)LiTiFe4 octahedra,  an edgeedge with one O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(1)Li3Ti2Fe octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with three equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(2)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent Ti(1), and two equivalent Fe(2) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(5)Li2Ti2Fe2 octahedra, corners with four equivalent O(2)Li3TiFe2 octahedra, edges with two equivalent O(6)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)LiTiFe4 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Ti(1), and two equivalent Fe(2) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(6)Li2Ti2Fe2 octahedra, corners with four equivalent O(4)LiTiFe4 octahedra, edges with two equivalent O(5)Li2Ti2Fe2 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(1)Li3Ti2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li2TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   6.116
_cell_length_c   7.998
_cell_angle_alpha   103.594
_cell_angle_beta   105.260
_cell_angle_gamma   90.113
_symmetry_Int_Tables_number   1
_cell_volume   192.893
_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  0.192  0.108  0.391  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.808  0.892  0.609  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.437  0.187  0.798  1.0
  Ti  Ti5  1  0.563  0.813  0.202  1.0
  Fe  Fe6  1  0.795  0.381  0.595  1.0
  Fe  Fe7  1  0.600  0.305  0.199  1.0
  Fe  Fe8  1  0.205  0.619  0.405  1.0
  Fe  Fe9  1  0.400  0.695  0.801  1.0
  O  O10  1  0.883  0.191  0.808  1.0
  O  O11  1  0.694  0.082  0.384  1.0
  O  O12  1  0.110  0.321  0.219  1.0
  O  O13  1  0.305  0.362  0.619  1.0
  O  O14  1  0.890  0.679  0.781  1.0
  O  O15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.695  0.638  0.381  1.0
  O  O17  1  0.117  0.809  0.192  1.0
  O  O18  1  0.306  0.918  0.616  1.0
  O  O19  1  0.500  0.000  0.000  1.0
[/CIF]
.