data_P2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   28.57
_cell_angle_beta   28.57
_cell_angle_gamma   28.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2IrBr
_chemical_formula_sum   'P2 Ir1 Br1'
_cell_volume   83.67
_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
  P  P2  1  0.0  0.0  0.16  1.0
  P  P3  1  0.0  0.0  0.31  1.0
  Ir  Ir1  1  0.0  0.0  0.55  1.0
  Br  Br0  1  0.0  0.0  0.12  1.0

data_P2IrBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   3.68
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P2IrBr
_chemical_formula_sum   'P4 Ir2 Br2'
_cell_volume   167.35
_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
  P  P0  2  -0.0  0.0  0.69  1.0
  P  P1  2  -0.0  0.0  0.84  1.0
  Ir  Ir2  2  -0.0  0.0  0.45  1.0
  Br  Br3  2  -0.0  0.0  0.88  1.0

P P Ir Br
P P Ir Br 0 3 o o o 0 1 o o o 1 2 o o o 
IrP2Br is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrP2Br clusters. Ir(1) is bonded in a single-bond geometry to one P(2) atom. The Ir(1)-P(2) bond length is 1.78 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one P(2) and one Br(1) atom. The P(1)-P(2) bond length is 1.09 Å. The P(1)-Br(1) bond length is 0.30 Å. In the second P site, P(2) is bonded in a linear geometry to one Ir(1) and one P(1) atom. Br(1) is bonded in a single-bond geometry to one P(1) atom.