The material described by Li2TiTeO6 is Ilmenite-derived 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 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TiTe trigonal pyramids. is represented by the CIF file [CIF]
data_Li2TiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   5.139
_cell_length_c   8.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.917
_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  0.000  0.000  0.302  1.0
  Li  Li1  1  0.500  0.000  0.178  1.0
  Li  Li2  1  0.000  0.500  0.678  1.0
  Li  Li3  1  0.500  0.500  0.802  1.0
  Ti  Ti4  1  0.000  0.000  0.891  1.0
  Ti  Ti5  1  0.500  0.500  0.391  1.0
  Te  Te6  1  0.500  0.000  0.586  1.0
  Te  Te7  1  0.000  0.500  0.086  1.0
  O  O8  1  0.257  0.147  0.744  1.0
  O  O9  1  0.297  0.175  0.417  1.0
  O  O10  1  0.199  0.179  0.075  1.0
  O  O11  1  0.699  0.321  0.575  1.0
  O  O12  1  0.797  0.325  0.917  1.0
  O  O13  1  0.757  0.353  0.244  1.0
  O  O14  1  0.243  0.647  0.244  1.0
  O  O15  1  0.203  0.675  0.917  1.0
  O  O16  1  0.301  0.679  0.575  1.0
  O  O17  1  0.801  0.821  0.075  1.0
  O  O18  1  0.703  0.825  0.417  1.0
  O  O19  1  0.743  0.853  0.744  1.0
[/CIF]
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The material described by Li2TiTeO6 is Ilmenite-derived 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 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ti(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TiTe trigonal pyramids. is represented by the CIF file [CIF]
data_Li2TiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   5.139
_cell_length_c   8.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.917
_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  0.000  0.000  0.302  1.0
  Li  Li1  1  0.500  0.000  0.178  1.0
  Li  Li2  1  0.000  0.500  0.678  1.0
  Li  Li3  1  0.500  0.500  0.802  1.0
  Ti  Ti4  1  0.000  0.000  0.891  1.0
  Ti  Ti5  1  0.500  0.500  0.391  1.0
  Te  Te6  1  0.500  0.000  0.586  1.0
  Te  Te7  1  0.000  0.500  0.086  1.0
  O  O8  1  0.257  0.147  0.744  1.0
  O  O9  1  0.297  0.175  0.417  1.0
  O  O10  1  0.199  0.179  0.075  1.0
  O  O11  1  0.699  0.321  0.575  1.0
  O  O12  1  0.797  0.325  0.917  1.0
  O  O13  1  0.757  0.353  0.244  1.0
  O  O14  1  0.243  0.647  0.244  1.0
  O  O15  1  0.203  0.675  0.917  1.0
  O  O16  1  0.301  0.679  0.575  1.0
  O  O17  1  0.801  0.821  0.075  1.0
  O  O18  1  0.703  0.825  0.417  1.0
  O  O19  1  0.743  0.853  0.744  1.0
[/CIF]
.