The crystal structure described by LiTi2O4 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(2), and one O(7) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(12), one O(2), one O(3), and one O(6) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(13), one O(3), one O(4), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(4), one O(5), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(19), one O(22), one O(23), and one O(24) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(20), one O(21), one O(25), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(27), and one O(28) atom. There are fourteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(16), one O(18), one O(19), one O(8), and one O(9) atom to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(19), and one O(21) atom to form edge-sharing TiO6 octahedra. In the third Ti site, Ti(3) is bonded to one O(12), one O(13), one O(15), one O(16), one O(20), and one O(8) atom to form edge-sharing TiO6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(14), one O(16), one O(17), one O(21), and one O(9) atom to form edge-sharing TiO6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(14), one O(15), one O(17), one O(18), and one O(8) atom to form edge-sharing TiO6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(12), one O(17), one O(19), one O(20), and one O(9) atom to form edge-sharing TiO6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(11), one O(13), one O(18), one O(20), and one O(21) atom to form edge-sharing TiO6 octahedra. In the eighth Ti site, Ti(8) is bonded to one O(2), one O(22), one O(25), one O(27), one O(3), and one O(5) atom to form edge-sharing TiO6 octahedra. In the ninth Ti site, Ti(9) is bonded to one O(1), one O(22), one O(23), one O(26), one O(3), and one O(4) atom to form edge-sharing TiO6 octahedra. In the tenth Ti site, Ti(10) is bonded to one O(23), one O(27), one O(28), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. In the eleventh Ti site, Ti(11) is bonded to one O(1), one O(2), one O(23), one O(24), one O(25), and one O(6) atom to form edge-sharing TiO6 octahedra. In the twelfth Ti site, Ti(12) is bonded to one O(25), one O(26), one O(28), one O(3), one O(6), and one O(7) atom to form edge-sharing TiO6 octahedra. In the thirteenth Ti site, Ti(13) is bonded to one O(2), one O(24), one O(26), one O(27), one O(4), and one O(7) atom to form edge-sharing TiO6 octahedra. In the fourteenth Ti site, Ti(14) is bonded to one O(1), one O(22), one O(24), one O(28), one O(5), and one O(7) atom to form edge-sharing TiO6 octahedra. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(11), one Ti(14), and one Ti(9) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(11), one Ti(13), and one Ti(8) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(25)LiTi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ti(12), one Ti(8), and one Ti(9) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(28)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(10), one Ti(13), and one Ti(9) atom. In the fifth O site, O(5) is bonded to one Li(4), one Ti(10), one Ti(14), and one Ti(8) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ti(10), one Ti(11), and one Ti(12) atom to form distorted OLi2Ti3 trigonal bipyramids that share  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(12), one Ti(13), and one Ti(14) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(5) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(5), one Ti(6), and one Ti(7) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Ti(7) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Ti(2), one Ti(3), and one Ti(6) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid, and  an edgeedge with one O(19)LiTi3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(3), one Ti(3), one Ti(4), and one Ti(7) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid, and  a cornercorner with one O(12)LiTi3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one Ti(4), and one Ti(5) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(1), one Ti(3), and one Ti(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(4), one Ti(5), and one Ti(6) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(1), one Ti(5), and one Ti(7) atom. In the nineteenth O site, O(19) is bonded to one Li(5), one Ti(1), one Ti(2), and one Ti(6) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid and  an edgeedge with one O(12)LiTi3 trigonal pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(3), one Ti(6), and one Ti(7) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(2), one Ti(4), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(7), one Ti(14), one Ti(8), and one Ti(9) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(19)LiTi3 trigonal pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(10), one Ti(11), and one Ti(9) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(11), one Ti(13), and one Ti(14) atom. In the twenty-fifth O site, O(25) is bonded to one Li(6), one Ti(11), one Ti(12), and one Ti(8) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the twenty-sixth O site, O(26) is bonded to one Li(6), one Ti(12), one Ti(13), and one Ti(9) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(25)LiTi3 trigonal pyramid. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(10), one Ti(13), and one Ti(8) atom. In the twenty-eighth O site, O(28) is bonded to one Li(6), one Li(7), one Ti(10), one Ti(12), and one Ti(14) atom to form distorted OLi2Ti3 trigonal bipyramids that share  a cornercorner with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid,  an edgeedge with one O(26)LiTi3 trigonal pyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. is represented by the CIF file [CIF]
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.887
_cell_length_c   10.650
_cell_angle_alpha   99.163
_cell_angle_beta   87.271
_cell_angle_gamma   119.873
_symmetry_Int_Tables_number   1
_cell_volume   565.243
_cell_formula_units_Z   7
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  0.043  0.182  0.781  1.0
  Li  Li1  1  0.320  0.612  0.778  1.0
  Li  Li2  1  0.607  0.053  0.781  1.0
  Li  Li3  1  0.746  0.545  0.737  1.0
  Li  Li4  1  0.252  0.250  0.221  1.0
  Li  Li5  1  0.590  0.960  0.264  1.0
  Li  Li6  1  0.960  0.806  0.221  1.0
  Ti  Ti7  1  0.227  0.081  0.504  1.0
  Ti  Ti8  1  0.055  0.350  0.496  1.0
  Ti  Ti9  1  0.352  0.780  0.497  1.0
  Ti  Ti10  1  0.644  0.218  0.503  1.0
  Ti  Ti11  1  0.930  0.644  0.496  1.0
  Ti  Ti12  1  0.501  0.504  0.495  1.0
  Ti  Ti13  1  0.787  0.921  0.504  1.0
  Ti  Ti14  1  0.147  0.720  0.995  1.0
  Ti  Ti15  1  0.418  0.132  0.996  1.0
  Ti  Ti16  1  0.700  0.560  0.007  1.0
  Ti  Ti17  1  0.289  0.437  0.008  1.0
  Ti  Ti18  1  0.586  0.857  0.995  1.0
  Ti  Ti19  1  0.862  0.298  0.017  1.0
  Ti  Ti20  1  0.991  0.990  0.992  1.0
  O  O21  1  0.229  0.169  0.899  1.0
  O  O22  1  0.093  0.448  0.899  1.0
  O  O23  1  0.382  0.876  0.889  1.0
  O  O24  1  0.663  0.305  0.903  1.0
  O  O25  1  0.934  0.727  0.899  1.0
  O  O26  1  0.516  0.591  0.894  1.0
  O  O27  1  0.809  0.039  0.893  1.0
  O  O28  1  0.173  0.857  0.593  1.0
  O  O29  1  0.462  0.294  0.602  1.0
  O  O30  1  0.743  0.707  0.604  1.0
  O  O31  1  0.032  0.146  0.601  1.0
  O  O32  1  0.316  0.572  0.598  1.0
  O  O33  1  0.600  1.000  0.602  1.0
  O  O34  1  0.884  0.433  0.604  1.0
  O  O35  1  0.117  0.572  0.403  1.0
  O  O36  1  0.406  0.000  0.400  1.0
  O  O37  1  0.686  0.430  0.404  1.0
  O  O38  1  0.972  0.861  0.400  1.0
  O  O39  1  0.254  0.282  0.401  1.0
  O  O40  1  0.545  0.725  0.400  1.0
  O  O41  1  0.821  0.136  0.399  1.0
  O  O42  1  0.187  0.977  0.103  1.0
  O  O43  1  0.471  0.392  0.104  1.0
  O  O44  1  0.057  0.258  0.102  1.0
  O  O45  1  0.347  0.699  0.095  1.0
  O  O46  1  0.624  0.111  0.099  1.0
  O  O47  1  0.917  0.560  0.104  1.0
  O  O48  1  0.770  0.832  0.106  1.0
[/CIF]
.
The crystal structure described by LiTi2O4 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(2), and one O(7) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(12), one O(2), one O(3), and one O(6) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(13), one O(3), one O(4), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(4), one O(5), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(19), one O(22), one O(23), and one O(24) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(20), one O(21), one O(25), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(27), and one O(28) atom. There are fourteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(16), one O(18), one O(19), one O(8), and one O(9) atom to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(19), and one O(21) atom to form edge-sharing TiO6 octahedra. In the third Ti site, Ti(3) is bonded to one O(12), one O(13), one O(15), one O(16), one O(20), and one O(8) atom to form edge-sharing TiO6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(14), one O(16), one O(17), one O(21), and one O(9) atom to form edge-sharing TiO6 octahedra. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(14), one O(15), one O(17), one O(18), and one O(8) atom to form edge-sharing TiO6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(12), one O(17), one O(19), one O(20), and one O(9) atom to form edge-sharing TiO6 octahedra. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(11), one O(13), one O(18), one O(20), and one O(21) atom to form edge-sharing TiO6 octahedra. In the eighth Ti site, Ti(8) is bonded to one O(2), one O(22), one O(25), one O(27), one O(3), and one O(5) atom to form edge-sharing TiO6 octahedra. In the ninth Ti site, Ti(9) is bonded to one O(1), one O(22), one O(23), one O(26), one O(3), and one O(4) atom to form edge-sharing TiO6 octahedra. In the tenth Ti site, Ti(10) is bonded to one O(23), one O(27), one O(28), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. In the eleventh Ti site, Ti(11) is bonded to one O(1), one O(2), one O(23), one O(24), one O(25), and one O(6) atom to form edge-sharing TiO6 octahedra. In the twelfth Ti site, Ti(12) is bonded to one O(25), one O(26), one O(28), one O(3), one O(6), and one O(7) atom to form edge-sharing TiO6 octahedra. In the thirteenth Ti site, Ti(13) is bonded to one O(2), one O(24), one O(26), one O(27), one O(4), and one O(7) atom to form edge-sharing TiO6 octahedra. In the fourteenth Ti site, Ti(14) is bonded to one O(1), one O(22), one O(24), one O(28), one O(5), and one O(7) atom to form edge-sharing TiO6 octahedra. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(11), one Ti(14), and one Ti(9) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(11), one Ti(13), and one Ti(8) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(25)LiTi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ti(12), one Ti(8), and one Ti(9) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(28)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Ti(10), one Ti(13), and one Ti(9) atom. In the fifth O site, O(5) is bonded to one Li(4), one Ti(10), one Ti(14), and one Ti(8) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ti(10), one Ti(11), and one Ti(12) atom to form distorted OLi2Ti3 trigonal bipyramids that share  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(12)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(12), one Ti(13), and one Ti(14) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(5) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(5), one Ti(6), and one Ti(7) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Ti(7) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Ti(2), one Ti(3), and one Ti(6) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  a cornercorner with one O(13)LiTi3 trigonal pyramid, and  an edgeedge with one O(19)LiTi3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(3), one Ti(3), one Ti(4), and one Ti(7) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(3)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid, and  a cornercorner with one O(12)LiTi3 trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one Ti(4), and one Ti(5) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(1), one Ti(3), and one Ti(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Ti(4), one Ti(5), and one Ti(6) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(1), one Ti(5), and one Ti(7) atom. In the nineteenth O site, O(19) is bonded to one Li(5), one Ti(1), one Ti(2), and one Ti(6) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid and  an edgeedge with one O(12)LiTi3 trigonal pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(3), one Ti(6), and one Ti(7) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(2), one Ti(4), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(7), one Ti(14), one Ti(8), and one Ti(9) atom to form OLi2Ti3 square pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(19)LiTi3 trigonal pyramid,  a cornercorner with one O(25)LiTi3 trigonal pyramid,  a cornercorner with one O(26)LiTi3 trigonal pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(10), one Ti(11), and one Ti(9) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ti(11), one Ti(13), and one Ti(14) atom. In the twenty-fifth O site, O(25) is bonded to one Li(6), one Ti(11), one Ti(12), and one Ti(8) atom to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(7)Li2Ti3 square pyramid,  a cornercorner with one O(5)LiTi3 trigonal pyramid,  an edgeedge with one O(2)Li2Ti3 square pyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(26)LiTi3 trigonal pyramid. In the twenty-sixth O site, O(26) is bonded to one Li(6), one Ti(12), one Ti(13), and one Ti(9) atom to form OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti3 square pyramid,  a cornercorner with one O(22)Li2Ti3 square pyramid,  a cornercorner with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(28)Li2Ti3 trigonal bipyramid, and  an edgeedge with one O(25)LiTi3 trigonal pyramid. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(10), one Ti(13), and one Ti(8) atom. In the twenty-eighth O site, O(28) is bonded to one Li(6), one Li(7), one Ti(10), one Ti(12), and one Ti(14) atom to form distorted OLi2Ti3 trigonal bipyramids that share  a cornercorner with one O(3)Li2Ti3 square pyramid,  an edgeedge with one O(22)Li2Ti3 square pyramid,  an edgeedge with one O(7)Li2Ti3 square pyramid,  an edgeedge with one O(6)Li2Ti3 trigonal bipyramid,  an edgeedge with one O(25)LiTi3 trigonal pyramid,  an edgeedge with one O(26)LiTi3 trigonal pyramid, and  an edgeedge with one O(5)LiTi3 trigonal pyramid. is represented by the CIF file [CIF]
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.887
_cell_length_c   10.650
_cell_angle_alpha   99.163
_cell_angle_beta   87.271
_cell_angle_gamma   119.873
_symmetry_Int_Tables_number   1
_cell_volume   565.243
_cell_formula_units_Z   7
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  0.043  0.182  0.781  1.0
  Li  Li1  1  0.320  0.612  0.778  1.0
  Li  Li2  1  0.607  0.053  0.781  1.0
  Li  Li3  1  0.746  0.545  0.737  1.0
  Li  Li4  1  0.252  0.250  0.221  1.0
  Li  Li5  1  0.590  0.960  0.264  1.0
  Li  Li6  1  0.960  0.806  0.221  1.0
  Ti  Ti7  1  0.227  0.081  0.504  1.0
  Ti  Ti8  1  0.055  0.350  0.496  1.0
  Ti  Ti9  1  0.352  0.780  0.497  1.0
  Ti  Ti10  1  0.644  0.218  0.503  1.0
  Ti  Ti11  1  0.930  0.644  0.496  1.0
  Ti  Ti12  1  0.501  0.504  0.495  1.0
  Ti  Ti13  1  0.787  0.921  0.504  1.0
  Ti  Ti14  1  0.147  0.720  0.995  1.0
  Ti  Ti15  1  0.418  0.132  0.996  1.0
  Ti  Ti16  1  0.700  0.560  0.007  1.0
  Ti  Ti17  1  0.289  0.437  0.008  1.0
  Ti  Ti18  1  0.586  0.857  0.995  1.0
  Ti  Ti19  1  0.862  0.298  0.017  1.0
  Ti  Ti20  1  0.991  0.990  0.992  1.0
  O  O21  1  0.229  0.169  0.899  1.0
  O  O22  1  0.093  0.448  0.899  1.0
  O  O23  1  0.382  0.876  0.889  1.0
  O  O24  1  0.663  0.305  0.903  1.0
  O  O25  1  0.934  0.727  0.899  1.0
  O  O26  1  0.516  0.591  0.894  1.0
  O  O27  1  0.809  0.039  0.893  1.0
  O  O28  1  0.173  0.857  0.593  1.0
  O  O29  1  0.462  0.294  0.602  1.0
  O  O30  1  0.743  0.707  0.604  1.0
  O  O31  1  0.032  0.146  0.601  1.0
  O  O32  1  0.316  0.572  0.598  1.0
  O  O33  1  0.600  1.000  0.602  1.0
  O  O34  1  0.884  0.433  0.604  1.0
  O  O35  1  0.117  0.572  0.403  1.0
  O  O36  1  0.406  0.000  0.400  1.0
  O  O37  1  0.686  0.430  0.404  1.0
  O  O38  1  0.972  0.861  0.400  1.0
  O  O39  1  0.254  0.282  0.401  1.0
  O  O40  1  0.545  0.725  0.400  1.0
  O  O41  1  0.821  0.136  0.399  1.0
  O  O42  1  0.187  0.977  0.103  1.0
  O  O43  1  0.471  0.392  0.104  1.0
  O  O44  1  0.057  0.258  0.102  1.0
  O  O45  1  0.347  0.699  0.095  1.0
  O  O46  1  0.624  0.111  0.099  1.0
  O  O47  1  0.917  0.560  0.104  1.0
  O  O48  1  0.770  0.832  0.106  1.0
[/CIF]
.