The structure described by Li4Ti2Fe3Sb3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(25), one O(27), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra, and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the second Li site, Li(2) is bonded to one O(15), one O(26), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(29), one O(31), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(30), one O(32), one O(7), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(18), one O(20), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the sixth Li site, Li(6) is bonded to one O(12), one O(17), one O(19), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. In the seventh Li site, Li(7) is bonded to one O(13), one O(2), one O(21), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the eighth Li site, Li(8) is bonded to one O(1), one O(14), one O(22), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(19), one O(21), and one O(23) atom. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(2), one O(20), one O(22), and one O(24) atom. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(15), one O(25), one O(27), one O(29), one O(31), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(26), one O(28), one O(30), and one O(32) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(25), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(16), one O(17), one O(26), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(15), one O(20), one O(27), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(16), one O(19), one O(28), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(22), one O(24), one O(30), one O(32), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra,  an edgeedge with one Sb(5)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(21), one O(23), one O(29), one O(3), one O(31), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra,  an edgeedge with one Sb(5)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(13), one O(17), one O(19), one O(25), one O(27), and one O(7) atom to form SbO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(14), one O(18), one O(20), one O(26), one O(28), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(21), one O(3), one O(30), one O(5), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(5)O6 octahedra. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(2), one O(22), one O(29), one O(4), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(6)O6 octahedra. In the fifth Sb site, Sb(5) is bonded to one O(1), one O(23), one O(3), one O(32), one O(5), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. In the sixth Sb site, Sb(6) is bonded to one O(10), one O(2), one O(24), one O(31), one O(4), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(8), one Ti(1), one Sb(3), and one Sb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(7), one Ti(2), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(6), one Sb(3), and one Sb(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(5), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded to one Li(6), one Fe(5), one Sb(3), and one Sb(5) atom to form distorted corner-sharing OLiFeSb2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(5), one Fe(6), one Sb(4), and one Sb(6) atom to form distorted corner-sharing OLiFeSb2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(4), one Fe(2), one Fe(4), and one Sb(1) atom to form corner-sharing OLiFe2Sb tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Fe(1), one Fe(3), and one Sb(2) atom to form corner-sharing OLiFe2Sb tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(4), one Ti(3), one Sb(3), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Ti(4), one Sb(4), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(1), one Fe(1), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(2), one Fe(2), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded to one Li(7), one Fe(1), one Fe(3), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(7)LiFe2Sb tetrahedra,  a cornercorner with one O(21)LiTiFeSb tetrahedra,  a cornercorner with one O(23)LiTiFeSb tetrahedra, and corners with two equivalent O(8)LiFe2Sb tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(8), one Fe(2), one Fe(4), and one Sb(2) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(8)LiFe2Sb tetrahedra,  a cornercorner with one O(22)LiTiFeSb tetrahedra,  a cornercorner with one O(24)LiTiFeSb tetrahedra, and corners with two equivalent O(7)LiFe2Sb tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Fe(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(4), one Fe(2), and one Fe(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(1), one Fe(2), and one Sb(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Fe(1), and one Sb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(1), one Fe(4), and one Sb(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Fe(3), and one Sb(2) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Ti(1), one Fe(6), and one Sb(3) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(23)LiTiFeSb tetrahedra,  a cornercorner with one O(13)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(23)LiTiFeSb tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(8), one Ti(2), one Fe(5), and one Sb(4) atom to form distorted OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(24)LiTiFeSb tetrahedra,  a cornercorner with one O(14)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(24)LiTiFeSb tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(7), one Ti(1), one Fe(6), and one Sb(5) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(21)LiTiFeSb tetrahedra,  a cornercorner with one O(13)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(21)LiTiFeSb tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(8), one Ti(2), one Fe(5), and one Sb(6) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(22)LiTiFeSb tetrahedra,  a cornercorner with one O(14)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(22)LiTiFeSb tetrahedra. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Fe(1), and one Sb(1) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Fe(2), and one Sb(2) atom. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Fe(3), and one Sb(1) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Fe(4), and one Sb(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(6), and one Sb(4) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Fe(5), and one Sb(3) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(6), and one Sb(6) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Fe(5), and one Sb(5) atom. is represented by the CIF file [CIF]
data_Li4Ti2Fe3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.236
_cell_length_c   9.793
_cell_angle_alpha   91.342
_cell_angle_beta   90.181
_cell_angle_gamma   119.292
_symmetry_Int_Tables_number   1
_cell_volume   326.943
_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
  Fe  Fe0  1  0.178  0.844  0.709  1.0
  Fe  Fe1  1  0.665  0.844  0.709  1.0
  Fe  Fe2  1  0.824  0.650  0.214  1.0
  Li  Li3  1  0.672  0.345  0.894  1.0
  Li  Li4  1  0.988  0.975  0.984  1.0
  Li  Li5  1  0.999  0.996  0.504  1.0
  Li  Li6  1  0.320  0.641  0.401  1.0
  O  O7  1  0.507  0.015  0.338  1.0
  O  O8  1  0.650  0.306  0.103  1.0
  O  O9  1  0.001  0.995  0.317  1.0
  O  O10  1  0.014  0.025  0.800  1.0
  O  O11  1  0.149  0.295  0.106  1.0
  O  O12  1  0.826  0.659  0.582  1.0
  O  O13  1  0.327  0.659  0.605  1.0
  O  O14  1  0.491  0.975  0.857  1.0
  O  O15  1  0.348  0.200  0.594  1.0
  O  O16  1  0.852  0.199  0.594  1.0
  O  O17  1  0.504  0.451  0.345  1.0
  O  O18  1  0.946  0.456  0.345  1.0
  O  O19  1  0.047  0.520  0.850  1.0
  O  O20  1  0.473  0.520  0.849  1.0
  O  O21  1  0.173  0.839  0.092  1.0
  O  O22  1  0.667  0.835  0.092  1.0
  Sb  Sb23  1  0.177  0.356  0.717  1.0
  Sb  Sb24  1  0.332  0.155  0.217  1.0
  Sb  Sb25  1  0.825  0.157  0.217  1.0
  Ti  Ti26  1  0.678  0.361  0.503  1.0
  Ti  Ti27  1  0.364  0.725  0.971  1.0
[/CIF]
.
The structure described by Li4Ti2Fe3Sb3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(25), one O(27), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra, and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the second Li site, Li(2) is bonded to one O(15), one O(26), one O(28), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(29), one O(31), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(30), one O(32), one O(7), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(18), one O(20), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the sixth Li site, Li(6) is bonded to one O(12), one O(17), one O(19), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. In the seventh Li site, Li(7) is bonded to one O(13), one O(2), one O(21), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the eighth Li site, Li(8) is bonded to one O(1), one O(14), one O(22), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  a cornercorner with one Sb(4)O6 octahedra,  a cornercorner with one Sb(5)O6 octahedra,  a cornercorner with one Sb(6)O6 octahedra, and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(17), one O(19), one O(21), and one O(23) atom. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(2), one O(20), one O(22), and one O(24) atom. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(15), one O(25), one O(27), one O(29), one O(31), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(26), one O(28), one O(30), and one O(32) atom. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(25), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(16), one O(17), one O(26), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(15), one O(20), one O(27), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(16), one O(19), one O(28), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(22), one O(24), one O(30), one O(32), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra,  an edgeedge with one Sb(5)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(21), one O(23), one O(29), one O(3), one O(31), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra,  an edgeedge with one Sb(4)O6 octahedra,  an edgeedge with one Sb(5)O6 octahedra, and  an edgeedge with one Sb(6)O6 octahedra. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(13), one O(17), one O(19), one O(25), one O(27), and one O(7) atom to form SbO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(14), one O(18), one O(20), one O(26), one O(28), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(21), one O(3), one O(30), one O(5), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(5)O6 octahedra. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(2), one O(22), one O(29), one O(4), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(6)O6 octahedra. In the fifth Sb site, Sb(5) is bonded to one O(1), one O(23), one O(3), one O(32), one O(5), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. In the sixth Sb site, Sb(6) is bonded to one O(10), one O(2), one O(24), one O(31), one O(4), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(8), one Ti(1), one Sb(3), and one Sb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(7), one Ti(2), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(6), one Sb(3), and one Sb(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(5), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded to one Li(6), one Fe(5), one Sb(3), and one Sb(5) atom to form distorted corner-sharing OLiFeSb2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(5), one Fe(6), one Sb(4), and one Sb(6) atom to form distorted corner-sharing OLiFeSb2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(4), one Fe(2), one Fe(4), and one Sb(1) atom to form corner-sharing OLiFe2Sb tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Fe(1), one Fe(3), and one Sb(2) atom to form corner-sharing OLiFe2Sb tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(4), one Ti(3), one Sb(3), and one Sb(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Ti(4), one Sb(4), and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(1), one Fe(1), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(2), one Fe(2), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded to one Li(7), one Fe(1), one Fe(3), and one Sb(1) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(7)LiFe2Sb tetrahedra,  a cornercorner with one O(21)LiTiFeSb tetrahedra,  a cornercorner with one O(23)LiTiFeSb tetrahedra, and corners with two equivalent O(8)LiFe2Sb tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(8), one Fe(2), one Fe(4), and one Sb(2) atom to form distorted OLiFe2Sb trigonal pyramids that share  a cornercorner with one O(8)LiFe2Sb tetrahedra,  a cornercorner with one O(22)LiTiFeSb tetrahedra,  a cornercorner with one O(24)LiTiFeSb tetrahedra, and corners with two equivalent O(7)LiFe2Sb tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(3), one Fe(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(4), one Fe(2), and one Fe(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(1), one Fe(2), and one Sb(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Fe(1), and one Sb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Ti(1), one Fe(4), and one Sb(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Ti(2), one Fe(3), and one Sb(2) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Ti(1), one Fe(6), and one Sb(3) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(23)LiTiFeSb tetrahedra,  a cornercorner with one O(13)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(23)LiTiFeSb tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(8), one Ti(2), one Fe(5), and one Sb(4) atom to form distorted OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(24)LiTiFeSb tetrahedra,  a cornercorner with one O(14)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(24)LiTiFeSb tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(7), one Ti(1), one Fe(6), and one Sb(5) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(21)LiTiFeSb tetrahedra,  a cornercorner with one O(13)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(21)LiTiFeSb tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(8), one Ti(2), one Fe(5), and one Sb(6) atom to form OLiTiFeSb tetrahedra that share  a cornercorner with one O(5)LiFeSb2 tetrahedra,  a cornercorner with one O(6)LiFeSb2 tetrahedra,  a cornercorner with one O(22)LiTiFeSb tetrahedra,  a cornercorner with one O(14)LiFe2Sb trigonal pyramid, and  an edgeedge with one O(22)LiTiFeSb tetrahedra. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Fe(1), and one Sb(1) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Fe(2), and one Sb(2) atom. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one Fe(3), and one Sb(1) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(4), one Fe(4), and one Sb(2) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(6), and one Sb(4) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Fe(5), and one Sb(3) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(6), and one Sb(6) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(4), one Fe(5), and one Sb(5) atom. is represented by the CIF file [CIF]
data_Li4Ti2Fe3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.236
_cell_length_c   9.793
_cell_angle_alpha   91.342
_cell_angle_beta   90.181
_cell_angle_gamma   119.292
_symmetry_Int_Tables_number   1
_cell_volume   326.943
_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
  Fe  Fe0  1  0.178  0.844  0.709  1.0
  Fe  Fe1  1  0.665  0.844  0.709  1.0
  Fe  Fe2  1  0.824  0.650  0.214  1.0
  Li  Li3  1  0.672  0.345  0.894  1.0
  Li  Li4  1  0.988  0.975  0.984  1.0
  Li  Li5  1  0.999  0.996  0.504  1.0
  Li  Li6  1  0.320  0.641  0.401  1.0
  O  O7  1  0.507  0.015  0.338  1.0
  O  O8  1  0.650  0.306  0.103  1.0
  O  O9  1  0.001  0.995  0.317  1.0
  O  O10  1  0.014  0.025  0.800  1.0
  O  O11  1  0.149  0.295  0.106  1.0
  O  O12  1  0.826  0.659  0.582  1.0
  O  O13  1  0.327  0.659  0.605  1.0
  O  O14  1  0.491  0.975  0.857  1.0
  O  O15  1  0.348  0.200  0.594  1.0
  O  O16  1  0.852  0.199  0.594  1.0
  O  O17  1  0.504  0.451  0.345  1.0
  O  O18  1  0.946  0.456  0.345  1.0
  O  O19  1  0.047  0.520  0.850  1.0
  O  O20  1  0.473  0.520  0.849  1.0
  O  O21  1  0.173  0.839  0.092  1.0
  O  O22  1  0.667  0.835  0.092  1.0
  Sb  Sb23  1  0.177  0.356  0.717  1.0
  Sb  Sb24  1  0.332  0.155  0.217  1.0
  Sb  Sb25  1  0.825  0.157  0.217  1.0
  Ti  Ti26  1  0.678  0.361  0.503  1.0
  Ti  Ti27  1  0.364  0.725  0.971  1.0
[/CIF]
.