data_As2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   27.99
_cell_angle_beta   27.99
_cell_angle_gamma   27.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2IrBr
_chemical_formula_sum   'As2 Ir1 Br1'
_cell_volume   84.29
_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
  As  As0  1  0.0  0.0  0.79  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.9  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_As2IrBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.34
_cell_length_b   3.66
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2IrBr
_chemical_formula_sum   'As4 Ir2 Br2'
_cell_volume   168.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  As  As0  2  0.0  0.0  0.21  1.0
  As  As1  2  0.0  0.0  1.0  1.0
  Ir  Ir2  2  0.0  0.0  0.1  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

IrAs2Br is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrAs2Br clusters. Ir(1) is bonded in a linear geometry to one As(1) and one Br(1) atom. The Ir(1)-As(1) bond length is 0.79 Å. The Ir(1)-Br(1) bond length is 0.77 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Br(1) atom. The As(2)-Br(1) bond length is 0.02 Å. Br(1) is bonded in a linear geometry to one Ir(1) and one As(2) atom.