The crystal structure described by LiTeO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnn2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Te(1), and one Te(2) atom to form distorted corner-sharing OLi2Te2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Te(1), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.341
_cell_length_c   8.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.847
_cell_formula_units_Z   4
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  0.000  0.000  0.312  1.0
  Li  Li1  1  0.500  0.000  0.174  1.0
  Li  Li2  1  0.000  0.500  0.674  1.0
  Li  Li3  1  0.500  0.500  0.812  1.0
  Te  Te4  1  0.000  0.000  0.898  1.0
  Te  Te5  1  0.500  0.000  0.588  1.0
  Te  Te6  1  0.000  0.500  0.088  1.0
  Te  Te7  1  0.500  0.500  0.398  1.0
  O  O8  1  0.289  0.173  0.733  1.0
  O  O9  1  0.295  0.154  0.425  1.0
  O  O10  1  0.208  0.187  0.071  1.0
  O  O11  1  0.708  0.313  0.571  1.0
  O  O12  1  0.795  0.346  0.925  1.0
  O  O13  1  0.789  0.327  0.233  1.0
  O  O14  1  0.211  0.673  0.233  1.0
  O  O15  1  0.205  0.654  0.925  1.0
  O  O16  1  0.292  0.687  0.571  1.0
  O  O17  1  0.792  0.813  0.071  1.0
  O  O18  1  0.705  0.846  0.425  1.0
  O  O19  1  0.711  0.827  0.733  1.0
[/CIF]
.
The crystal structure described by LiTeO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnn2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Te(1), and one Te(2) atom to form distorted corner-sharing OLi2Te2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Te(1), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.341
_cell_length_c   8.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.847
_cell_formula_units_Z   4
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  0.000  0.000  0.312  1.0
  Li  Li1  1  0.500  0.000  0.174  1.0
  Li  Li2  1  0.000  0.500  0.674  1.0
  Li  Li3  1  0.500  0.500  0.812  1.0
  Te  Te4  1  0.000  0.000  0.898  1.0
  Te  Te5  1  0.500  0.000  0.588  1.0
  Te  Te6  1  0.000  0.500  0.088  1.0
  Te  Te7  1  0.500  0.500  0.398  1.0
  O  O8  1  0.289  0.173  0.733  1.0
  O  O9  1  0.295  0.154  0.425  1.0
  O  O10  1  0.208  0.187  0.071  1.0
  O  O11  1  0.708  0.313  0.571  1.0
  O  O12  1  0.795  0.346  0.925  1.0
  O  O13  1  0.789  0.327  0.233  1.0
  O  O14  1  0.211  0.673  0.233  1.0
  O  O15  1  0.205  0.654  0.925  1.0
  O  O16  1  0.292  0.687  0.571  1.0
  O  O17  1  0.792  0.813  0.071  1.0
  O  O18  1  0.705  0.846  0.425  1.0
  O  O19  1  0.711  0.827  0.733  1.0
[/CIF]
.