The material described by Li2TiFe2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(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 1-9°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(4)Li2TiFe3 octahedra, corners with two equivalent O(5)Li2TiFe3 octahedra,  an edgeedge with one O(4)Li2TiFe3 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra, edges with two equivalent O(1)Li2Ti2Fe2 octahedra, edges with four equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(2), two 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)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with three equivalent O(4)Li2TiFe3 octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with four equivalent O(1)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third O site, O(3) is bonded to one Li(2), two 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(4)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra, edges with two equivalent O(4)Li2TiFe3 octahedra, edges with three equivalent O(5)Li2TiFe3 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(1)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)Li2TiFe3 octahedra, edges with two equivalent O(3)Li3TiFe2 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(5)Li2TiFe3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(4)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2Ti2Fe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with four equivalent O(4)Li2TiFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF card [CIF]
data_Li2TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   7.980
_cell_length_c   5.138
_cell_angle_alpha   108.769
_cell_angle_beta   71.936
_cell_angle_gamma   95.720
_symmetry_Int_Tables_number   1
_cell_volume   189.260
_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  0.601  0.801  1.0
  Li  Li1  1  0.500  0.599  0.299  1.0
  Li  Li2  1  0.999  0.995  0.001  1.0
  Li  Li3  1  0.499  0.205  0.106  1.0
  Ti  Ti4  1  0.501  0.806  0.899  1.0
  Ti  Ti5  1  0.001  0.393  0.192  1.0
  Fe  Fe6  1  0.502  0.407  0.703  1.0
  Fe  Fe7  1  0.497  0.007  0.506  1.0
  Fe  Fe8  1  0.002  0.793  0.396  1.0
  Fe  Fe9  1  0.997  0.193  0.599  1.0
  O  O10  1  0.250  0.598  0.050  1.0
  O  O11  1  0.750  0.602  0.552  1.0
  O  O12  1  0.229  0.395  0.439  1.0
  O  O13  1  0.729  0.805  0.144  1.0
  O  O14  1  0.264  0.799  0.664  1.0
  O  O15  1  0.764  0.401  0.966  1.0
  O  O16  1  0.765  0.216  0.336  1.0
  O  O17  1  0.265  0.984  0.220  1.0
  O  O18  1  0.244  0.211  0.868  1.0
  O  O19  1  0.744  0.989  0.758  1.0
[/CIF]
.
The material described by Li2TiFe2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(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 1-9°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Fe(1) atoms to form OLi2Ti2Fe2 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(4)Li2TiFe3 octahedra, corners with two equivalent O(5)Li2TiFe3 octahedra,  an edgeedge with one O(4)Li2TiFe3 octahedra,  an edgeedge with one O(5)Li2TiFe3 octahedra, edges with two equivalent O(1)Li2Ti2Fe2 octahedra, edges with four equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(3)Li3TiFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Li(2), two 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)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with three equivalent O(4)Li2TiFe3 octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with four equivalent O(1)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third O site, O(3) is bonded to one Li(2), two 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(4)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra, edges with two equivalent O(4)Li2TiFe3 octahedra, edges with three equivalent O(5)Li2TiFe3 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(1)Li2Ti2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(5)Li2TiFe3 octahedra, corners with two equivalent O(3)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2Ti2Fe2 octahedra, edges with two equivalent O(4)Li2TiFe3 octahedra, edges with two equivalent O(3)Li3TiFe2 octahedra, edges with three equivalent O(2)Li3TiFe2 octahedra, and edges with four equivalent O(5)Li2TiFe3 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Ti(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2TiFe3 octahedra that share corners with two equivalent O(1)Li2Ti2Fe2 octahedra, corners with two equivalent O(4)Li2TiFe3 octahedra, corners with two equivalent O(2)Li3TiFe2 octahedra,  an edgeedge with one O(1)Li2Ti2Fe2 octahedra, edges with two equivalent O(5)Li2TiFe3 octahedra, edges with two equivalent O(2)Li3TiFe2 octahedra, edges with three equivalent O(3)Li3TiFe2 octahedra, and edges with four equivalent O(4)Li2TiFe3 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF card [CIF]
data_Li2TiFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   7.980
_cell_length_c   5.138
_cell_angle_alpha   108.769
_cell_angle_beta   71.936
_cell_angle_gamma   95.720
_symmetry_Int_Tables_number   1
_cell_volume   189.260
_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  0.601  0.801  1.0
  Li  Li1  1  0.500  0.599  0.299  1.0
  Li  Li2  1  0.999  0.995  0.001  1.0
  Li  Li3  1  0.499  0.205  0.106  1.0
  Ti  Ti4  1  0.501  0.806  0.899  1.0
  Ti  Ti5  1  0.001  0.393  0.192  1.0
  Fe  Fe6  1  0.502  0.407  0.703  1.0
  Fe  Fe7  1  0.497  0.007  0.506  1.0
  Fe  Fe8  1  0.002  0.793  0.396  1.0
  Fe  Fe9  1  0.997  0.193  0.599  1.0
  O  O10  1  0.250  0.598  0.050  1.0
  O  O11  1  0.750  0.602  0.552  1.0
  O  O12  1  0.229  0.395  0.439  1.0
  O  O13  1  0.729  0.805  0.144  1.0
  O  O14  1  0.264  0.799  0.664  1.0
  O  O15  1  0.764  0.401  0.966  1.0
  O  O16  1  0.765  0.216  0.336  1.0
  O  O17  1  0.265  0.984  0.220  1.0
  O  O18  1  0.244  0.211  0.868  1.0
  O  O19  1  0.744  0.989  0.758  1.0
[/CIF]
.