The material structure described by Li2TiO3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(15), one Ti(7), one O(11), one O(12), one O(16), one O(17), one O(19), and one O(20) atom. In the second Li site, Li(2) is bonded in a distorted hexagonal bipyramidal geometry to one Ti(6), one Ti(8), one O(1), one O(16), one O(18), one O(20), one O(21), and one O(4) atom. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Li(12), one Ti(7), one O(18), one O(2), one O(22), one O(23), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(19), and one O(20) atom. In the fifth Li site, Li(5) is bonded in a 8-coordinate geometry to one Ti(4), one Ti(8), one O(10), one O(22), one O(24), one O(3), one O(5), and one O(6) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(21), and one O(4) atom. In the seventh Li site, Li(7) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(5), one O(1), one O(18), one O(2), one O(23), one O(24), and one O(6) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a distorted square co-planar geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the tenth Li site, Li(10) is bonded in a 8-coordinate geometry to one Ti(4), one Ti(6), one O(11), one O(14), one O(15), one O(17), one O(8), and one O(9) atom. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(10), one O(22), and one O(3) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one O(10), one O(22), one O(24), and one O(3) atom. In the thirteenth Li site, Li(13) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(19), and one O(20) atom. In the fourteenth Li site, Li(14) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(8) atom. In the fifteenth Li site, Li(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one O(15), one O(17), one O(8), and one O(9) atom. In the sixteenth Li site, Li(16) is bonded in a distorted rectangular see-saw-like geometry to one O(18), one O(2), one O(23), and one O(6) atom. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to one Li(7), one O(10), one O(22), one O(24), and one O(3) atom. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to one O(15), one O(17), one O(8), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a distorted square co-planar geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the fourth Ti site, Ti(4) is bonded in a distorted square co-planar geometry to one Li(10), one Li(5), one O(13), one O(14), one O(5), and one O(7) atom. In the fifth Ti site, Ti(5) is bonded in a distorted square co-planar geometry to one Li(7), one O(1), one O(16), one O(21), and one O(4) atom. In the sixth Ti site, Ti(6) is bonded in a 8-coordinate geometry to one Li(10), one Li(2), one O(11), one O(12), one O(19), one O(20), one O(4), and one O(8) atom. In the seventh Ti site, Ti(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(16), one O(21), and one O(4) atom. In the eighth Ti site, Ti(8) is bonded in a 8-coordinate geometry to one Li(2), one Li(5), one O(10), one O(16), one O(18), one O(2), one O(23), and one O(6) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(7), one Ti(5), and one Ti(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(16), one Li(3), one Li(7), and one Ti(8) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(11), one Li(12), one Li(5), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to one Li(2), one Li(3), one Li(6), one Ti(5), one Ti(6), and one Ti(7) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(16), one Li(3), one Li(5), one Li(7), and one Ti(8) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(10), one Li(14), one Li(15), one Ti(2), and one Ti(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(10), one Li(15), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(11), one Li(12), one Li(5), one Ti(1), and one Ti(8) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(13), one Li(4), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(14), one Li(15), and one Ti(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(6), one Ti(5), one Ti(7), and one Ti(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(15), and one Ti(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(16), one Li(2), one Li(3), one Li(7), and one Ti(8) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Li(13), one Li(4), and one Ti(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Li(13), one Li(2), one Li(4), and one Ti(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Ti(5), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Ti(1) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(16), one Li(3), one Li(7), and one Ti(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(12), one Li(5), one Li(7), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.917
_cell_length_c   13.223
_cell_angle_alpha   102.868
_cell_angle_beta   102.607
_cell_angle_gamma   90.718
_symmetry_Int_Tables_number   1
_cell_volume   439.405
_cell_formula_units_Z   8
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  0.623  0.876  0.752  1.0
  Li  Li1  1  0.133  0.375  0.582  1.0
  Li  Li2  1  0.630  0.871  0.414  1.0
  Li  Li3  1  0.627  0.374  0.750  1.0
  Li  Li4  1  0.121  0.376  0.252  1.0
  Li  Li5  1  0.124  0.872  0.583  1.0
  Li  Li6  1  0.627  0.383  0.415  1.0
  Li  Li7  1  0.630  0.878  0.081  1.0
  Li  Li8  1  0.123  0.879  0.084  1.0
  Li  Li9  1  0.131  0.382  0.913  1.0
  Li  Li10  1  0.111  0.872  0.252  1.0
  Li  Li11  1  0.627  0.877  0.250  1.0
  Li  Li12  1  0.121  0.874  0.751  1.0
  Li  Li13  1  0.141  0.880  0.913  1.0
  Li  Li14  1  0.628  0.879  0.915  1.0
  Li  Li15  1  0.133  0.882  0.412  1.0
  Ti  Ti16  1  0.632  0.373  0.258  1.0
  Ti  Ti17  1  0.619  0.379  0.909  1.0
  Ti  Ti18  1  0.626  0.375  0.083  1.0
  Ti  Ti19  1  0.127  0.380  0.083  1.0
  Ti  Ti20  1  0.631  0.376  0.583  1.0
  Ti  Ti21  1  0.108  0.347  0.757  1.0
  Ti  Ti22  1  0.623  0.879  0.582  1.0
  Ti  Ti23  1  0.146  0.408  0.408  1.0
  O  O24  1  0.849  0.625  0.582  1.0
  O  O25  1  0.375  0.149  0.408  1.0
  O  O26  1  0.861  0.613  0.247  1.0
  O  O27  1  0.864  0.133  0.580  1.0
  O  O28  1  0.876  0.156  0.083  1.0
  O  O29  1  0.355  0.606  0.418  1.0
  O  O30  1  0.375  0.148  0.081  1.0
  O  O31  1  0.377  0.603  0.924  1.0
  O  O32  1  0.847  0.596  0.929  1.0
  O  O33  1  0.876  0.152  0.242  1.0
  O  O34  1  0.900  0.151  0.746  1.0
  O  O35  1  0.378  0.150  0.741  1.0
  O  O36  1  0.876  0.607  0.085  1.0
  O  O37  1  0.375  0.599  0.083  1.0
  O  O38  1  0.390  0.142  0.919  1.0
  O  O39  1  0.390  0.618  0.585  1.0
  O  O40  1  0.880  0.153  0.908  1.0
  O  O41  1  0.867  0.117  0.429  1.0
  O  O42  1  0.876  0.605  0.758  1.0
  O  O43  1  0.385  0.635  0.736  1.0
  O  O44  1  0.405  0.126  0.583  1.0
  O  O45  1  0.372  0.601  0.258  1.0
  O  O46  1  0.875  0.601  0.425  1.0
  O  O47  1  0.405  0.158  0.237  1.0
[/CIF]
.
The material structure described by Li2TiO3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(15), one Ti(7), one O(11), one O(12), one O(16), one O(17), one O(19), and one O(20) atom. In the second Li site, Li(2) is bonded in a distorted hexagonal bipyramidal geometry to one Ti(6), one Ti(8), one O(1), one O(16), one O(18), one O(20), one O(21), and one O(4) atom. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Li(12), one Ti(7), one O(18), one O(2), one O(22), one O(23), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(19), and one O(20) atom. In the fifth Li site, Li(5) is bonded in a 8-coordinate geometry to one Ti(4), one Ti(8), one O(10), one O(22), one O(24), one O(3), one O(5), and one O(6) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(21), and one O(4) atom. In the seventh Li site, Li(7) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(5), one O(1), one O(18), one O(2), one O(23), one O(24), and one O(6) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a distorted square co-planar geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the tenth Li site, Li(10) is bonded in a 8-coordinate geometry to one Ti(4), one Ti(6), one O(11), one O(14), one O(15), one O(17), one O(8), and one O(9) atom. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(10), one O(22), and one O(3) atom. In the twelfth Li site, Li(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one O(10), one O(22), one O(24), and one O(3) atom. In the thirteenth Li site, Li(13) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(19), and one O(20) atom. In the fourteenth Li site, Li(14) is bonded in a 3-coordinate geometry to one O(15), one O(17), and one O(8) atom. In the fifteenth Li site, Li(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one O(15), one O(17), one O(8), and one O(9) atom. In the sixteenth Li site, Li(16) is bonded in a distorted rectangular see-saw-like geometry to one O(18), one O(2), one O(23), and one O(6) atom. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 4-coordinate geometry to one Li(7), one O(10), one O(22), one O(24), and one O(3) atom. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to one O(15), one O(17), one O(8), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a distorted square co-planar geometry to one O(13), one O(14), one O(5), and one O(7) atom. In the fourth Ti site, Ti(4) is bonded in a distorted square co-planar geometry to one Li(10), one Li(5), one O(13), one O(14), one O(5), and one O(7) atom. In the fifth Ti site, Ti(5) is bonded in a distorted square co-planar geometry to one Li(7), one O(1), one O(16), one O(21), and one O(4) atom. In the sixth Ti site, Ti(6) is bonded in a 8-coordinate geometry to one Li(10), one Li(2), one O(11), one O(12), one O(19), one O(20), one O(4), and one O(8) atom. In the seventh Ti site, Ti(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(16), one O(21), and one O(4) atom. In the eighth Ti site, Ti(8) is bonded in a 8-coordinate geometry to one Li(2), one Li(5), one O(10), one O(16), one O(18), one O(2), one O(23), and one O(6) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(7), one Ti(5), and one Ti(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(16), one Li(3), one Li(7), and one Ti(8) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(11), one Li(12), one Li(5), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to one Li(2), one Li(3), one Li(6), one Ti(5), one Ti(6), and one Ti(7) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(16), one Li(3), one Li(5), one Li(7), and one Ti(8) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(10), one Li(14), one Li(15), one Ti(2), and one Ti(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(10), one Li(15), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(11), one Li(12), one Li(5), one Ti(1), and one Ti(8) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(4), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(13), one Li(4), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(8), one Li(9), one Ti(3), and one Ti(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one Li(14), one Li(15), and one Ti(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(6), one Ti(5), one Ti(7), and one Ti(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(15), and one Ti(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(16), one Li(2), one Li(3), one Li(7), and one Ti(8) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Li(13), one Li(4), and one Ti(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Li(13), one Li(2), one Li(4), and one Ti(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Ti(5), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Ti(1) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(16), one Li(3), one Li(7), and one Ti(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(12), one Li(5), one Li(7), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.917
_cell_length_c   13.223
_cell_angle_alpha   102.868
_cell_angle_beta   102.607
_cell_angle_gamma   90.718
_symmetry_Int_Tables_number   1
_cell_volume   439.405
_cell_formula_units_Z   8
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  0.623  0.876  0.752  1.0
  Li  Li1  1  0.133  0.375  0.582  1.0
  Li  Li2  1  0.630  0.871  0.414  1.0
  Li  Li3  1  0.627  0.374  0.750  1.0
  Li  Li4  1  0.121  0.376  0.252  1.0
  Li  Li5  1  0.124  0.872  0.583  1.0
  Li  Li6  1  0.627  0.383  0.415  1.0
  Li  Li7  1  0.630  0.878  0.081  1.0
  Li  Li8  1  0.123  0.879  0.084  1.0
  Li  Li9  1  0.131  0.382  0.913  1.0
  Li  Li10  1  0.111  0.872  0.252  1.0
  Li  Li11  1  0.627  0.877  0.250  1.0
  Li  Li12  1  0.121  0.874  0.751  1.0
  Li  Li13  1  0.141  0.880  0.913  1.0
  Li  Li14  1  0.628  0.879  0.915  1.0
  Li  Li15  1  0.133  0.882  0.412  1.0
  Ti  Ti16  1  0.632  0.373  0.258  1.0
  Ti  Ti17  1  0.619  0.379  0.909  1.0
  Ti  Ti18  1  0.626  0.375  0.083  1.0
  Ti  Ti19  1  0.127  0.380  0.083  1.0
  Ti  Ti20  1  0.631  0.376  0.583  1.0
  Ti  Ti21  1  0.108  0.347  0.757  1.0
  Ti  Ti22  1  0.623  0.879  0.582  1.0
  Ti  Ti23  1  0.146  0.408  0.408  1.0
  O  O24  1  0.849  0.625  0.582  1.0
  O  O25  1  0.375  0.149  0.408  1.0
  O  O26  1  0.861  0.613  0.247  1.0
  O  O27  1  0.864  0.133  0.580  1.0
  O  O28  1  0.876  0.156  0.083  1.0
  O  O29  1  0.355  0.606  0.418  1.0
  O  O30  1  0.375  0.148  0.081  1.0
  O  O31  1  0.377  0.603  0.924  1.0
  O  O32  1  0.847  0.596  0.929  1.0
  O  O33  1  0.876  0.152  0.242  1.0
  O  O34  1  0.900  0.151  0.746  1.0
  O  O35  1  0.378  0.150  0.741  1.0
  O  O36  1  0.876  0.607  0.085  1.0
  O  O37  1  0.375  0.599  0.083  1.0
  O  O38  1  0.390  0.142  0.919  1.0
  O  O39  1  0.390  0.618  0.585  1.0
  O  O40  1  0.880  0.153  0.908  1.0
  O  O41  1  0.867  0.117  0.429  1.0
  O  O42  1  0.876  0.605  0.758  1.0
  O  O43  1  0.385  0.635  0.736  1.0
  O  O44  1  0.405  0.126  0.583  1.0
  O  O45  1  0.372  0.601  0.258  1.0
  O  O46  1  0.875  0.601  0.425  1.0
  O  O47  1  0.405  0.158  0.237  1.0
[/CIF]
.