data_B2IrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   2.82
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrCl
_chemical_formula_sum   'B2 Ir1 Cl1'
_cell_volume   66.0
_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
  B  B0  1  0.56  0.41  0.4  1.0
  B  B1  1  0.93  0.41  0.54  1.0
  Ir  Ir3  1  0.38  0.0  0.47  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_B2IrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.75
_cell_length_c   5.09
_cell_angle_alpha   104.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrCl
_chemical_formula_sum   'B2 Ir1 Cl1'
_cell_volume   66.0
_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
  B  B0  1  0.59  0.07  0.46  1.0
  B  B1  1  0.59  0.44  0.6  1.0
  Ir  Ir2  1  0.0  0.62  0.53  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

B B Ir Cl
IrB2Cl crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 5-coordinate geometry to two equivalent B(1), two equivalent B(2), and one Cl(1) atom. There is one shorter (1.55 Å) and one longer (1.96 Å) Ir(1)-B(1) bond length. There is one shorter (2.49 Å) and one longer (2.77 Å) Ir(1)-B(2) bond length. The Ir(1)-Cl(1) bond length is 2.61 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one B(2) atom. The B(1)-B(2) bond length is 1.74 Å. In the second B site, B(2) is bonded in a 4-coordinate geometry to two equivalent Ir(1), one B(1), and one Cl(1) atom. The B(2)-Cl(1) bond length is 2.56 Å. Cl(1) is bonded in a distorted bent 150 degrees geometry to one Ir(1) and one B(2) atom.