data_B3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Ir
_chemical_formula_sum   'B3 Ir1'
_cell_volume   34.08
_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
  B  B0  1  0.0  0.62  0.62  1.0
  B  B1  1  0.62  0.0  0.62  1.0
  B  B2  1  0.62  0.62  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_B3Ir
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   B3Ir
_chemical_formula_sum   'B9 Ir3'
_cell_volume   102.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.21  0.41  0.41  1.0
  Ir  Ir1  3  0.0  0.0  0.0  1.0

B B B Ir
B B B Ir 0 1 - + o 0 2 - o + 0 3 o + + 1 2 o - + 1 3 + o + 2 3 + + o 
IrB3 is Uranium Silicide structured and crystallizes in the trigonal R3m space group. Ir(1) is bonded in a 3-coordinate geometry to nine equivalent B(1) atoms. There are three shorter (1.74 Å) and six longer (2.36 Å) Ir(1)-B(1) bond lengths. B(1) is bonded in a 5-coordinate geometry to three equivalent Ir(1) and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.74 Å.