The compound described by CuIn2Te3Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuIn2Te3Br cluster. Cu(1) is bonded in an L-shaped geometry to one Te(1) and one Br(1) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. In the second In site, In(2) is bonded in a 2-coordinate geometry to one Te(2) and one Br(1) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one Br(1) atom. In the third Te site, Te(3) is bonded in a single-bond geometry to one In(1) atom. Br(1) is bonded in a distorted L-shaped geometry to one Cu(1), one In(2), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2CuTe3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.225
_cell_length_c   7.557
_cell_angle_alpha   114.273
_cell_angle_beta   112.964
_cell_angle_gamma   90.698
_symmetry_Int_Tables_number   1
_cell_volume   239.846
_cell_formula_units_Z   1
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  0.984  0.987  0.011  1.0
  In  In1  1  0.248  0.255  0.479  1.0
  Cu  Cu2  1  0.521  0.515  0.012  1.0
  Te  Te3  1  0.414  0.648  0.252  1.0
  Te  Te4  1  0.826  0.120  0.258  1.0
  Te  Te5  1  0.620  0.850  0.730  1.0
  Br  Br6  1  0.137  0.375  0.758  1.0
[/CIF]
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The compound described by CuIn2Te3Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuIn2Te3Br cluster. Cu(1) is bonded in an L-shaped geometry to one Te(1) and one Br(1) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. In the second In site, In(2) is bonded in a 2-coordinate geometry to one Te(2) and one Br(1) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one Br(1) atom. In the third Te site, Te(3) is bonded in a single-bond geometry to one In(1) atom. Br(1) is bonded in a distorted L-shaped geometry to one Cu(1), one In(2), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2CuTe3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.225
_cell_length_c   7.557
_cell_angle_alpha   114.273
_cell_angle_beta   112.964
_cell_angle_gamma   90.698
_symmetry_Int_Tables_number   1
_cell_volume   239.846
_cell_formula_units_Z   1
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  0.984  0.987  0.011  1.0
  In  In1  1  0.248  0.255  0.479  1.0
  Cu  Cu2  1  0.521  0.515  0.012  1.0
  Te  Te3  1  0.414  0.648  0.252  1.0
  Te  Te4  1  0.826  0.120  0.258  1.0
  Te  Te5  1  0.620  0.850  0.730  1.0
  Br  Br6  1  0.137  0.375  0.758  1.0
[/CIF]
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