The material described by In2Te3 crystallizes in the cubic F-43m space group. The structure consists of four 13494-80-9 atoms inside a In9Te13 framework. In the In9Te13 framework, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded to two equivalent Te(2) and two equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to two equivalent In(1) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one In(2) and two equivalent In(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to three equivalent In(1) atoms. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to three equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.417
_cell_length_b   13.417
_cell_length_c   13.417
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1707.830
_cell_formula_units_Z   9
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  0.095  0.746  0.746  1.0
  In  In1  1  0.419  0.419  0.081  1.0
  In  In2  1  0.412  0.746  0.746  1.0
  In  In3  1  0.746  0.746  0.095  1.0
  In  In4  1  0.412  0.095  0.746  1.0
  In  In5  1  0.095  0.746  0.412  1.0
  In  In6  1  0.746  0.412  0.095  1.0
  In  In7  1  0.081  0.081  0.419  1.0
  In  In8  1  0.095  0.412  0.746  1.0
  In  In9  1  0.419  0.081  0.419  1.0
  In  In10  1  0.419  0.081  0.081  1.0
  In  In11  1  0.746  0.095  0.746  1.0
  In  In12  1  0.746  0.746  0.412  1.0
  In  In13  1  0.412  0.746  0.095  1.0
  In  In14  1  0.746  0.095  0.412  1.0
  In  In15  1  0.081  0.419  0.081  1.0
  In  In16  1  0.081  0.419  0.419  1.0
  In  In17  1  0.746  0.412  0.746  1.0
  Te  Te18  1  0.652  0.348  0.348  1.0
  Te  Te19  1  0.652  0.348  0.652  1.0
  Te  Te20  1  0.652  0.652  0.348  1.0
  Te  Te21  1  0.303  0.681  0.008  1.0
  Te  Te22  1  0.674  0.674  0.674  1.0
  Te  Te23  1  0.343  0.971  0.343  1.0
  Te  Te24  1  0.008  0.681  0.303  1.0
  Te  Te25  1  0.681  0.303  0.008  1.0
  Te  Te26  1  0.303  0.008  0.681  1.0
  Te  Te27  1  0.008  0.681  0.008  1.0
  Te  Te28  1  0.978  0.674  0.674  1.0
  Te  Te29  1  0.008  0.303  0.008  1.0
  Te  Te30  1  0.674  0.674  0.978  1.0
  Te  Te31  1  0.343  0.343  0.971  1.0
  Te  Te32  1  0.000  0.000  0.000  1.0
  Te  Te33  1  0.681  0.008  0.303  1.0
  Te  Te34  1  0.348  0.652  0.652  1.0
  Te  Te35  1  0.348  0.652  0.348  1.0
  Te  Te36  1  0.971  0.343  0.343  1.0
  Te  Te37  1  0.674  0.978  0.674  1.0
  Te  Te38  1  0.303  0.008  0.008  1.0
  Te  Te39  1  0.008  0.303  0.681  1.0
  Te  Te40  1  0.681  0.008  0.008  1.0
  Te  Te41  1  0.348  0.348  0.652  1.0
  Te  Te42  1  0.343  0.343  0.343  1.0
  Te  Te43  1  0.008  0.008  0.681  1.0
  Te  Te44  1  0.008  0.008  0.303  1.0
[/CIF]
.
The material described by In2Te3 crystallizes in the cubic F-43m space group. The structure consists of four 13494-80-9 atoms inside a In9Te13 framework. In the In9Te13 framework, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form corner-sharing InTe4 tetrahedra. In the second In site, In(2) is bonded to two equivalent Te(2) and two equivalent Te(4) atoms to form corner-sharing InTe4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to two equivalent In(1) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one In(2) and two equivalent In(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to three equivalent In(1) atoms. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to three equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.417
_cell_length_b   13.417
_cell_length_c   13.417
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1707.830
_cell_formula_units_Z   9
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  0.095  0.746  0.746  1.0
  In  In1  1  0.419  0.419  0.081  1.0
  In  In2  1  0.412  0.746  0.746  1.0
  In  In3  1  0.746  0.746  0.095  1.0
  In  In4  1  0.412  0.095  0.746  1.0
  In  In5  1  0.095  0.746  0.412  1.0
  In  In6  1  0.746  0.412  0.095  1.0
  In  In7  1  0.081  0.081  0.419  1.0
  In  In8  1  0.095  0.412  0.746  1.0
  In  In9  1  0.419  0.081  0.419  1.0
  In  In10  1  0.419  0.081  0.081  1.0
  In  In11  1  0.746  0.095  0.746  1.0
  In  In12  1  0.746  0.746  0.412  1.0
  In  In13  1  0.412  0.746  0.095  1.0
  In  In14  1  0.746  0.095  0.412  1.0
  In  In15  1  0.081  0.419  0.081  1.0
  In  In16  1  0.081  0.419  0.419  1.0
  In  In17  1  0.746  0.412  0.746  1.0
  Te  Te18  1  0.652  0.348  0.348  1.0
  Te  Te19  1  0.652  0.348  0.652  1.0
  Te  Te20  1  0.652  0.652  0.348  1.0
  Te  Te21  1  0.303  0.681  0.008  1.0
  Te  Te22  1  0.674  0.674  0.674  1.0
  Te  Te23  1  0.343  0.971  0.343  1.0
  Te  Te24  1  0.008  0.681  0.303  1.0
  Te  Te25  1  0.681  0.303  0.008  1.0
  Te  Te26  1  0.303  0.008  0.681  1.0
  Te  Te27  1  0.008  0.681  0.008  1.0
  Te  Te28  1  0.978  0.674  0.674  1.0
  Te  Te29  1  0.008  0.303  0.008  1.0
  Te  Te30  1  0.674  0.674  0.978  1.0
  Te  Te31  1  0.343  0.343  0.971  1.0
  Te  Te32  1  0.000  0.000  0.000  1.0
  Te  Te33  1  0.681  0.008  0.303  1.0
  Te  Te34  1  0.348  0.652  0.652  1.0
  Te  Te35  1  0.348  0.652  0.348  1.0
  Te  Te36  1  0.971  0.343  0.343  1.0
  Te  Te37  1  0.674  0.978  0.674  1.0
  Te  Te38  1  0.303  0.008  0.008  1.0
  Te  Te39  1  0.008  0.303  0.681  1.0
  Te  Te40  1  0.681  0.008  0.008  1.0
  Te  Te41  1  0.348  0.348  0.652  1.0
  Te  Te42  1  0.343  0.343  0.343  1.0
  Te  Te43  1  0.008  0.008  0.681  1.0
  Te  Te44  1  0.008  0.008  0.303  1.0
[/CIF]
.