The structure described by Ti2Te3 crystallizes in the trigonal R-3 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Te(1) atoms to form a mixture of corner and edge-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ti site, Ti(2) is bonded to six equivalent Te(1) atoms to form a mixture of corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Ti site, Ti(3) is bonded to six equivalent Te(1) atoms to form a mixture of corner and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Te(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.846
_cell_length_b   6.847
_cell_length_c   7.467
_cell_angle_alpha   62.708
_cell_angle_beta   90.007
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   257.091
_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
  Ti  Ti0  1  0.333  0.667  0.000  1.0
  Ti  Ti1  1  0.673  0.347  0.980  1.0
  Ti  Ti2  1  0.993  0.987  0.020  1.0
  Ti  Ti3  1  0.833  0.667  0.500  1.0
  Te  Te4  1  0.911  0.485  0.258  1.0
  Te  Te5  1  0.574  0.831  0.258  1.0
  Te  Te6  1  0.257  0.167  0.258  1.0
  Te  Te7  1  0.410  0.166  0.742  1.0
  Te  Te8  1  0.092  0.502  0.742  1.0
  Te  Te9  1  0.756  0.848  0.742  1.0
[/CIF]
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The structure described by Ti2Te3 crystallizes in the trigonal R-3 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent Te(1) atoms to form a mixture of corner and edge-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ti site, Ti(2) is bonded to six equivalent Te(1) atoms to form a mixture of corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Ti site, Ti(3) is bonded to six equivalent Te(1) atoms to form a mixture of corner and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Te(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.846
_cell_length_b   6.847
_cell_length_c   7.467
_cell_angle_alpha   62.708
_cell_angle_beta   90.007
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   257.091
_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
  Ti  Ti0  1  0.333  0.667  0.000  1.0
  Ti  Ti1  1  0.673  0.347  0.980  1.0
  Ti  Ti2  1  0.993  0.987  0.020  1.0
  Ti  Ti3  1  0.833  0.667  0.500  1.0
  Te  Te4  1  0.911  0.485  0.258  1.0
  Te  Te5  1  0.574  0.831  0.258  1.0
  Te  Te6  1  0.257  0.167  0.258  1.0
  Te  Te7  1  0.410  0.166  0.742  1.0
  Te  Te8  1  0.092  0.502  0.742  1.0
  Te  Te9  1  0.756  0.848  0.742  1.0
[/CIF]
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