data_In2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34
_cell_length_b   9.48
_cell_length_c   5.67
_cell_angle_alpha   81.95
_cell_angle_beta   65.16
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In8 Ir4'
_cell_volume   247.11
_cell_formula_units_Z   4
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
  In  In0  1  0.12  0.89  0.61  1.0
  In  In1  1  0.12  0.0  0.61  1.0
  In  In2  1  0.74  0.96  0.59  1.0
  In  In3  1  0.74  0.41  0.07  1.0
  In  In4  1  0.74  0.96  0.55  1.0
  In  In5  1  0.37  0.48  0.98  1.0
  In  In6  1  0.74  0.52  0.07  1.0
  In  In7  1  0.37  0.48  0.09  1.0
  Ir  Ir8  1  0.12  0.45  0.25  1.0
  Ir  Ir9  1  0.74  0.96  0.72  1.0
  Ir  Ir10  1  0.12  0.45  0.97  1.0
  Ir  Ir11  1  0.74  0.96  0.43  1.0

data_In2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.49
_cell_length_b   5.67
_cell_length_c   9.48
_cell_angle_alpha   81.95
_cell_angle_beta   73.18
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In8 Ir4'
_cell_volume   247.11
_cell_formula_units_Z   4
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
  In  In0  1  0.04  0.67  0.71  1.0
  In  In1  1  0.04  0.7  0.71  1.0
  In  In2  1  0.11  0.28  0.01  1.0
  In  In3  1  0.48  0.18  0.26  1.0
  In  In4  1  0.52  0.54  0.85  1.0
  In  In5  1  0.52  0.65  0.85  1.0
  In  In6  1  0.59  0.18  0.15  1.0
  In  In7  1  1.0  0.28  0.12  1.0
  Ir  Ir8  1  0.04  0.54  0.71  1.0
  Ir  Ir9  1  0.04  0.83  0.71  1.0
  Ir  Ir10  1  0.55  0.63  0.56  1.0
  Ir  Ir11  1  0.55  0.92  0.56  1.0

In In In In In In In In Ir Ir Ir Ir
IrIn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two diindium molecules and two IrIn clusters. In one of the IrIn clusters, there are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a single-bond geometry to one In(3) atom. The Ir(2)-In(3) bond length is 0.71 Å. In the second Ir site, Ir(4) is bonded in a single-bond geometry to one In(5) atom. The Ir(4)-In(5) bond length is 0.71 Å. There are two inequivalent In sites. In the first In site, In(3) is bonded in a linear geometry to one Ir(2) and one In(5) atom. The In(3)-In(5) bond length is 0.20 Å. In the second In site, In(5) is bonded in a linear geometry to one Ir(4) and one In(3) atom. In one of the IrIn clusters, there are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to one Ir(3) atom. The Ir(1)-Ir(3) bond length is 1.62 Å. In the second Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Ir(1) and one In(7) atom. The Ir(3)-In(7) bond length is 3.04 Å. There are two inequivalent In sites. In the first In site, In(4) is bonded in a distorted single-bond geometry to one In(7) atom. The In(4)-In(7) bond length is 1.06 Å. In the second In site, In(7) is bonded in a distorted bent 150 degrees geometry to one Ir(3) and one In(4) atom.