data_BiB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Ir
_chemical_formula_sum   'Bi1 B2 Ir1'
_cell_volume   63.08
_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
  Bi  Bi2  1  0.0  0.0  0.05  1.0
  B  B0  1  0.97  0.0  0.84  1.0
  B  B1  1  0.97  0.0  0.26  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_BiB2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Ir
_chemical_formula_sum   'Bi1 B2 Ir1'
_cell_volume   63.08
_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
  Bi  Bi0  1  0.0  0.0  0.05  1.0
  B  B1  1  0.97  0.0  0.26  1.0
  B  B2  1  0.97  0.0  0.84  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

Bi B B Ir
IrB2Bi is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrB2Bi cluster. Ir(1) is bonded in a linear geometry to one B(1) and one Bi(1) atom. The Ir(1)-B(1) bond length is 0.99 Å. The Ir(1)-Bi(1) bond length is 0.29 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Bi(1) atom. The B(2)-Bi(1) bond length is 1.28 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ir(1) and one B(2) atom.