data_AsIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   8.71
_cell_angle_alpha   18.74
_cell_angle_beta   18.74
_cell_angle_gamma   18.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr3
_chemical_formula_sum   'As1 Ir3'
_cell_volume   59.57
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.16  1.0
  Ir  Ir2  1  0.0  0.0  0.83  1.0
  Ir  Ir3  1  0.0  0.0  0.5  1.0

data_AsIr3
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.91
_cell_length_b   2.84
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   AsIr3
_chemical_formula_sum   'As2 Ir6'
_cell_volume   119.13
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  As  As0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  4  0.0  0.0  0.16  1.0
  Ir  Ir2  2  0.0  0.0  0.5  1.0

As Ir Ir Ir
Ir3As crystallizes in the monoclinic Cm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ir(3) and one As(1) atom. The Ir(1)-Ir(3) bond length is 2.96 Å. The Ir(1)-As(1) bond length is 1.41 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ir(3) and one As(1) atom. The Ir(2)-Ir(3) bond length is 2.87 Å. The Ir(2)-As(1) bond length is 1.47 Å. In the third Ir site, Ir(3) is bonded to one Ir(1); one Ir(2); and six Ir(3,3) atoms to form a mixture of corner and edge-sharing IrIr8 hexagonal bipyramids. All Ir(3)-Ir(3,3) bond lengths are 2.84 Å. In the fourth Ir site, Ir(3) is bonded to one Ir(1); one Ir(2); and six Ir(3,3) atoms to form a mixture of corner and edge-sharing IrIr8 hexagonal bipyramids. The Ir(3)-Ir(1) bond length is 2.96 Å. The Ir(3)-Ir(2) bond length is 2.87 Å. Both Ir(3)-Ir(3) bond lengths are 2.84 Å. As(1) is bonded in a linear geometry to one Ir(1) and one Ir(2) atom.