The compound described by Li2Ti3FeO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. Fe(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(3)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(5)LiTi2Fe trigonal pyramids, corners with two equivalent O(6)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(7)LiTi2Fe trigonal pyramids,  an edgeedge with one O(3)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(2), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(5)LiTi2Fe trigonal pyramids, corners with two equivalent O(7)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(6)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2 trigonal pyramid,  a cornercorner with one O(3)Li2Ti2 trigonal pyramid, corners with two equivalent O(6)LiTi2Fe trigonal pyramids, corners with two equivalent O(7)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(5)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Li2Ti2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), one Ti(3), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with three equivalent O(4)Li2Ti2 trigonal pyramids,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid,  an edgeedge with one O(7)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Ti(3), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with three equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(7)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Ti(1), one Ti(2), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with three equivalent O(2)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(2), one Ti(3), and one Fe(1) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(7)LiTi2Fe trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.008
_cell_length_c   5.973
_cell_angle_alpha   60.201
_cell_angle_beta   60.165
_cell_angle_gamma   59.707
_symmetry_Int_Tables_number   1
_cell_volume   152.612
_cell_formula_units_Z   1
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  0.118  0.118  0.120  1.0
  Li  Li1  1  0.501  0.501  0.500  1.0
  Ti  Ti2  1  0.498  0.006  0.500  1.0
  Ti  Ti3  1  0.497  0.498  0.009  1.0
  Ti  Ti4  1  0.005  0.499  0.500  1.0
  Fe  Fe5  1  0.882  0.883  0.884  1.0
  O  O6  1  0.262  0.261  0.257  1.0
  O  O7  1  0.708  0.249  0.250  1.0
  O  O8  1  0.250  0.708  0.250  1.0
  O  O9  1  0.251  0.251  0.709  1.0
  O  O10  1  0.745  0.744  0.293  1.0
  O  O11  1  0.751  0.293  0.741  1.0
  O  O12  1  0.292  0.750  0.742  1.0
  O  O13  1  0.740  0.740  0.744  1.0
[/CIF]
.
The compound described by Li2Ti3FeO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. Fe(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(2) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(3)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(5)LiTi2Fe trigonal pyramids, corners with two equivalent O(6)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(7)LiTi2Fe trigonal pyramids,  an edgeedge with one O(3)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(2), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2 trigonal pyramid,  a cornercorner with one O(4)Li2Ti2 trigonal pyramid, corners with two equivalent O(5)LiTi2Fe trigonal pyramids, corners with two equivalent O(7)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(6)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(4)Li2Ti2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), and one Ti(3) atom to form distorted OLi2Ti2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2 trigonal pyramid,  a cornercorner with one O(3)Li2Ti2 trigonal pyramid, corners with two equivalent O(6)LiTi2Fe trigonal pyramids, corners with two equivalent O(7)LiTi2Fe trigonal pyramids, corners with two equivalent O(8)Ti3Fe trigonal pyramids, corners with three equivalent O(5)LiTi2Fe trigonal pyramids,  an edgeedge with one O(2)Li2Ti2 trigonal pyramid, and  an edgeedge with one O(3)Li2Ti2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), one Ti(3), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with three equivalent O(4)Li2Ti2 trigonal pyramids,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid,  an edgeedge with one O(7)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Ti(3), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with three equivalent O(3)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(7)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Ti(1), one Ti(2), and one Fe(1) atom to form distorted OLiTi2Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(8)Ti3Fe trigonal pyramid, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids, corners with three equivalent O(2)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(8)Ti3Fe trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(2), one Ti(3), and one Fe(1) atom to form distorted OTi3Fe trigonal pyramids that share  a cornercorner with one O(5)LiTi2Fe trigonal pyramid,  a cornercorner with one O(6)LiTi2Fe trigonal pyramid,  a cornercorner with one O(7)LiTi2Fe trigonal pyramid, corners with two equivalent O(2)Li2Ti2 trigonal pyramids, corners with two equivalent O(3)Li2Ti2 trigonal pyramids, corners with two equivalent O(4)Li2Ti2 trigonal pyramids,  an edgeedge with one O(5)LiTi2Fe trigonal pyramid,  an edgeedge with one O(6)LiTi2Fe trigonal pyramid, and  an edgeedge with one O(7)LiTi2Fe trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.008
_cell_length_c   5.973
_cell_angle_alpha   60.201
_cell_angle_beta   60.165
_cell_angle_gamma   59.707
_symmetry_Int_Tables_number   1
_cell_volume   152.612
_cell_formula_units_Z   1
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  0.118  0.118  0.120  1.0
  Li  Li1  1  0.501  0.501  0.500  1.0
  Ti  Ti2  1  0.498  0.006  0.500  1.0
  Ti  Ti3  1  0.497  0.498  0.009  1.0
  Ti  Ti4  1  0.005  0.499  0.500  1.0
  Fe  Fe5  1  0.882  0.883  0.884  1.0
  O  O6  1  0.262  0.261  0.257  1.0
  O  O7  1  0.708  0.249  0.250  1.0
  O  O8  1  0.250  0.708  0.250  1.0
  O  O9  1  0.251  0.251  0.709  1.0
  O  O10  1  0.745  0.744  0.293  1.0
  O  O11  1  0.751  0.293  0.741  1.0
  O  O12  1  0.292  0.750  0.742  1.0
  O  O13  1  0.740  0.740  0.744  1.0
[/CIF]
.