The structure described by IrTe7Br7 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one IrTe7Br7 cluster. Ir(1) is bonded to one Te(1), one Te(4), one Te(6), one Te(7), and two equivalent Te(5) atoms to form edge-sharing IrTe6 octahedra. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ir(1), one Te(2), one Te(3), and one Br(7) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Te(1), one Te(4), one Te(5), and one Br(4) atom. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Te(1), one Te(4), one Te(5), and one Br(1) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Ir(1), one Te(2), one Te(3), and one Br(5) atom. In the fifth Te site, Te(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ir(1), one Te(2), and one Te(3) atom. In the sixth Te site, Te(6) is bonded in a square pyramidal geometry to one Ir(1), one Br(1), one Br(2), one Br(3), and one Br(4) atom. In the seventh Te site, Te(7) is bonded in a distorted see-saw-like geometry to one Ir(1), one Br(5), one Br(6), and one Br(7) atom. There are seven inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Te(3) and one Te(6) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(6) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Te(6) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Te(2) and one Te(6) atom. In the fifth Br site, Br(5) is bonded in an L-shaped geometry to one Te(4) and one Te(7) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Te(7) atom. In the seventh Br site, Br(7) is bonded in an L-shaped geometry to one Te(1) and one Te(7) atom. is represented by the CIF card [CIF]
data_Te7IrBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.899
_cell_length_b   10.492
_cell_length_c   12.070
_cell_angle_alpha   94.448
_cell_angle_beta   113.247
_cell_angle_gamma   112.137
_symmetry_Int_Tables_number   1
_cell_volume   1028.558
_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
  Te  Te0  1  0.923  0.051  0.711  1.0
  Te  Te1  1  0.077  0.949  0.289  1.0
  Te  Te2  1  0.227  0.280  0.891  1.0
  Te  Te3  1  0.773  0.720  0.109  1.0
  Te  Te4  1  0.758  0.159  0.814  1.0
  Te  Te5  1  0.242  0.841  0.186  1.0
  Te  Te6  1  0.069  0.343  0.026  1.0
  Te  Te7  1  0.931  0.657  0.974  1.0
  Te  Te8  1  0.210  0.047  0.031  1.0
  Te  Te9  1  0.790  0.953  0.969  1.0
  Te  Te10  1  0.065  0.758  0.728  1.0
  Te  Te11  1  0.935  0.242  0.272  1.0
  Te  Te12  1  0.620  0.666  0.660  1.0
  Te  Te13  1  0.380  0.334  0.340  1.0
  Ir  Ir14  1  0.917  0.850  0.840  1.0
  Ir  Ir15  1  0.083  0.150  0.160  1.0
  Br  Br16  1  0.295  0.738  0.963  1.0
  Br  Br17  1  0.705  0.262  0.037  1.0
  Br  Br18  1  0.889  0.473  0.685  1.0
  Br  Br19  1  0.111  0.527  0.315  1.0
  Br  Br20  1  0.860  0.733  0.495  1.0
  Br  Br21  1  0.140  0.267  0.505  1.0
  Br  Br22  1  0.275  0.037  0.737  1.0
  Br  Br23  1  0.725  0.963  0.263  1.0
  Br  Br24  1  0.581  0.455  0.792  1.0
  Br  Br25  1  0.419  0.545  0.208  1.0
  Br  Br26  1  0.409  0.694  0.720  1.0
  Br  Br27  1  0.591  0.306  0.280  1.0
  Br  Br28  1  0.564  0.854  0.522  1.0
  Br  Br29  1  0.436  0.146  0.478  1.0
[/CIF]
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The structure described by IrTe7Br7 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one IrTe7Br7 cluster. Ir(1) is bonded to one Te(1), one Te(4), one Te(6), one Te(7), and two equivalent Te(5) atoms to form edge-sharing IrTe6 octahedra. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ir(1), one Te(2), one Te(3), and one Br(7) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Te(1), one Te(4), one Te(5), and one Br(4) atom. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Te(1), one Te(4), one Te(5), and one Br(1) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Ir(1), one Te(2), one Te(3), and one Br(5) atom. In the fifth Te site, Te(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ir(1), one Te(2), and one Te(3) atom. In the sixth Te site, Te(6) is bonded in a square pyramidal geometry to one Ir(1), one Br(1), one Br(2), one Br(3), and one Br(4) atom. In the seventh Te site, Te(7) is bonded in a distorted see-saw-like geometry to one Ir(1), one Br(5), one Br(6), and one Br(7) atom. There are seven inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Te(3) and one Te(6) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Te(6) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Te(6) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Te(2) and one Te(6) atom. In the fifth Br site, Br(5) is bonded in an L-shaped geometry to one Te(4) and one Te(7) atom. In the sixth Br site, Br(6) is bonded in a single-bond geometry to one Te(7) atom. In the seventh Br site, Br(7) is bonded in an L-shaped geometry to one Te(1) and one Te(7) atom. is represented by the CIF card [CIF]
data_Te7IrBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.899
_cell_length_b   10.492
_cell_length_c   12.070
_cell_angle_alpha   94.448
_cell_angle_beta   113.247
_cell_angle_gamma   112.137
_symmetry_Int_Tables_number   1
_cell_volume   1028.558
_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
  Te  Te0  1  0.923  0.051  0.711  1.0
  Te  Te1  1  0.077  0.949  0.289  1.0
  Te  Te2  1  0.227  0.280  0.891  1.0
  Te  Te3  1  0.773  0.720  0.109  1.0
  Te  Te4  1  0.758  0.159  0.814  1.0
  Te  Te5  1  0.242  0.841  0.186  1.0
  Te  Te6  1  0.069  0.343  0.026  1.0
  Te  Te7  1  0.931  0.657  0.974  1.0
  Te  Te8  1  0.210  0.047  0.031  1.0
  Te  Te9  1  0.790  0.953  0.969  1.0
  Te  Te10  1  0.065  0.758  0.728  1.0
  Te  Te11  1  0.935  0.242  0.272  1.0
  Te  Te12  1  0.620  0.666  0.660  1.0
  Te  Te13  1  0.380  0.334  0.340  1.0
  Ir  Ir14  1  0.917  0.850  0.840  1.0
  Ir  Ir15  1  0.083  0.150  0.160  1.0
  Br  Br16  1  0.295  0.738  0.963  1.0
  Br  Br17  1  0.705  0.262  0.037  1.0
  Br  Br18  1  0.889  0.473  0.685  1.0
  Br  Br19  1  0.111  0.527  0.315  1.0
  Br  Br20  1  0.860  0.733  0.495  1.0
  Br  Br21  1  0.140  0.267  0.505  1.0
  Br  Br22  1  0.275  0.037  0.737  1.0
  Br  Br23  1  0.725  0.963  0.263  1.0
  Br  Br24  1  0.581  0.455  0.792  1.0
  Br  Br25  1  0.419  0.545  0.208  1.0
  Br  Br26  1  0.409  0.694  0.720  1.0
  Br  Br27  1  0.591  0.306  0.280  1.0
  Br  Br28  1  0.564  0.854  0.522  1.0
  Br  Br29  1  0.436  0.146  0.478  1.0
[/CIF]
.