The material described by Li2Ti(TeO4)3 crystallizes in the monoclinic P2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Ti(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra,  a cornercorner with one Te(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and  an edgeedge with one Te(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(5)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, and  an edgeedge with one Te(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Te site, Te(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth Te site, Te(4) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. In the fifth Te site, Te(5) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Te(1), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(1), and one Te(5) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Te(1) and one Te(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(1) and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ti(1), and one Te(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Te(1) and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Te(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ti(1), and one Te(5) atom to form distorted edge-sharing OLi2TiTe trigonal pyramids. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Te(1), and one Te(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.521
_cell_length_b   7.080
_cell_length_c   7.296
_cell_angle_alpha   87.353
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.669
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.177  0.734  0.757  1.0
  Li  Li1  1  0.177  0.266  0.243  1.0
  Li  Li2  1  0.850  0.000  0.000  1.0
  Li  Li3  1  0.299  0.000  0.500  1.0
  Ti  Ti4  1  0.099  0.260  0.747  1.0
  Ti  Ti5  1  0.099  0.741  0.253  1.0
  Te  Te6  1  0.604  0.751  0.750  1.0
  Te  Te7  1  0.918  0.500  0.000  1.0
  Te  Te8  1  0.604  0.249  0.250  1.0
  Te  Te9  1  0.409  0.000  0.000  1.0
  Te  Te10  1  0.412  0.500  0.500  1.0
  Te  Te11  1  0.917  0.000  0.500  1.0
  O  O12  1  0.756  0.298  0.055  1.0
  O  O13  1  0.072  0.294  0.013  1.0
  O  O14  1  0.430  0.267  0.062  1.0
  O  O15  1  0.430  0.733  0.938  1.0
  O  O16  1  0.072  0.706  0.987  1.0
  O  O17  1  0.756  0.702  0.945  1.0
  O  O18  1  0.933  0.056  0.753  1.0
  O  O19  1  0.585  0.016  0.810  1.0
  O  O20  1  0.935  0.547  0.254  1.0
  O  O21  1  0.259  0.053  0.809  1.0
  O  O22  1  0.580  0.513  0.308  1.0
  O  O23  1  0.256  0.549  0.317  1.0
  O  O24  1  0.259  0.947  0.191  1.0
  O  O25  1  0.585  0.984  0.190  1.0
  O  O26  1  0.256  0.451  0.683  1.0
  O  O27  1  0.933  0.944  0.247  1.0
  O  O28  1  0.580  0.487  0.692  1.0
  O  O29  1  0.935  0.453  0.746  1.0
  O  O30  1  0.754  0.804  0.555  1.0
  O  O31  1  0.085  0.810  0.515  1.0
  O  O32  1  0.431  0.771  0.557  1.0
  O  O33  1  0.431  0.229  0.443  1.0
  O  O34  1  0.085  0.190  0.485  1.0
  O  O35  1  0.754  0.196  0.445  1.0
[/CIF]
.
The material described by Li2Ti(TeO4)3 crystallizes in the monoclinic P2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(5)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Ti(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra,  a cornercorner with one Te(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and  an edgeedge with one Te(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(5)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, and  an edgeedge with one Te(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Te site, Te(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth Te site, Te(4) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-47°. In the fifth Te site, Te(5) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Te(1), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(1), and one Te(5) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Te(1) and one Te(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ti(1) and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ti(1), and one Te(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Te(1) and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Te(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ti(1), and one Te(5) atom to form distorted edge-sharing OLi2TiTe trigonal pyramids. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Te(1), and one Te(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.521
_cell_length_b   7.080
_cell_length_c   7.296
_cell_angle_alpha   87.353
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.669
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.177  0.734  0.757  1.0
  Li  Li1  1  0.177  0.266  0.243  1.0
  Li  Li2  1  0.850  0.000  0.000  1.0
  Li  Li3  1  0.299  0.000  0.500  1.0
  Ti  Ti4  1  0.099  0.260  0.747  1.0
  Ti  Ti5  1  0.099  0.741  0.253  1.0
  Te  Te6  1  0.604  0.751  0.750  1.0
  Te  Te7  1  0.918  0.500  0.000  1.0
  Te  Te8  1  0.604  0.249  0.250  1.0
  Te  Te9  1  0.409  0.000  0.000  1.0
  Te  Te10  1  0.412  0.500  0.500  1.0
  Te  Te11  1  0.917  0.000  0.500  1.0
  O  O12  1  0.756  0.298  0.055  1.0
  O  O13  1  0.072  0.294  0.013  1.0
  O  O14  1  0.430  0.267  0.062  1.0
  O  O15  1  0.430  0.733  0.938  1.0
  O  O16  1  0.072  0.706  0.987  1.0
  O  O17  1  0.756  0.702  0.945  1.0
  O  O18  1  0.933  0.056  0.753  1.0
  O  O19  1  0.585  0.016  0.810  1.0
  O  O20  1  0.935  0.547  0.254  1.0
  O  O21  1  0.259  0.053  0.809  1.0
  O  O22  1  0.580  0.513  0.308  1.0
  O  O23  1  0.256  0.549  0.317  1.0
  O  O24  1  0.259  0.947  0.191  1.0
  O  O25  1  0.585  0.984  0.190  1.0
  O  O26  1  0.256  0.451  0.683  1.0
  O  O27  1  0.933  0.944  0.247  1.0
  O  O28  1  0.580  0.487  0.692  1.0
  O  O29  1  0.935  0.453  0.746  1.0
  O  O30  1  0.754  0.804  0.555  1.0
  O  O31  1  0.085  0.810  0.515  1.0
  O  O32  1  0.431  0.771  0.557  1.0
  O  O33  1  0.431  0.229  0.443  1.0
  O  O34  1  0.085  0.190  0.485  1.0
  O  O35  1  0.754  0.196  0.445  1.0
[/CIF]
.