The structure described by In2Te3 crystallizes in the tetragonal I4mm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(3) atoms to form edge-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Te(1), one Te(3), and two equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to four equivalent In(2) and four equivalent Te(2) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to two equivalent In(2) and one Te(1) atom. In the third Te site, Te(3) is bonded in a T-shaped geometry to one In(2) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_In2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.071
_cell_length_b   10.071
_cell_length_c   10.071
_cell_angle_alpha   98.288
_cell_angle_beta   98.288
_cell_angle_gamma   135.373
_symmetry_Int_Tables_number   1
_cell_volume   663.910
_cell_formula_units_Z   3
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
  In  In0  1  0.477  0.977  0.500  1.0
  In  In1  1  0.977  0.477  0.500  1.0
  In  In2  1  0.501  0.678  0.177  1.0
  In  In3  1  0.501  0.325  0.823  1.0
  In  In4  1  0.678  0.501  0.177  1.0
  In  In5  1  0.325  0.501  0.823  1.0
  Te  Te6  1  0.824  0.824  0.000  1.0
  Te  Te7  1  0.588  0.917  0.000  1.0
  Te  Te8  1  0.917  0.588  0.000  1.0
  Te  Te9  1  0.588  0.588  0.672  1.0
  Te  Te10  1  0.917  0.917  0.328  1.0
  Te  Te11  1  0.239  0.575  0.336  1.0
  Te  Te12  1  0.239  0.903  0.664  1.0
  Te  Te13  1  0.575  0.239  0.336  1.0
  Te  Te14  1  0.903  0.239  0.664  1.0
[/CIF]
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The structure described by In2Te3 crystallizes in the tetragonal I4mm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Te(3) atoms to form edge-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Te(1), one Te(3), and two equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to four equivalent In(2) and four equivalent Te(2) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to two equivalent In(2) and one Te(1) atom. In the third Te site, Te(3) is bonded in a T-shaped geometry to one In(2) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_In2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.071
_cell_length_b   10.071
_cell_length_c   10.071
_cell_angle_alpha   98.288
_cell_angle_beta   98.288
_cell_angle_gamma   135.373
_symmetry_Int_Tables_number   1
_cell_volume   663.910
_cell_formula_units_Z   3
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
  In  In0  1  0.477  0.977  0.500  1.0
  In  In1  1  0.977  0.477  0.500  1.0
  In  In2  1  0.501  0.678  0.177  1.0
  In  In3  1  0.501  0.325  0.823  1.0
  In  In4  1  0.678  0.501  0.177  1.0
  In  In5  1  0.325  0.501  0.823  1.0
  Te  Te6  1  0.824  0.824  0.000  1.0
  Te  Te7  1  0.588  0.917  0.000  1.0
  Te  Te8  1  0.917  0.588  0.000  1.0
  Te  Te9  1  0.588  0.588  0.672  1.0
  Te  Te10  1  0.917  0.917  0.328  1.0
  Te  Te11  1  0.239  0.575  0.336  1.0
  Te  Te12  1  0.239  0.903  0.664  1.0
  Te  Te13  1  0.575  0.239  0.336  1.0
  Te  Te14  1  0.903  0.239  0.664  1.0
[/CIF]
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