The material described by IrS2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ir(1) is bonded to six equivalent S(1) atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedral tilt angles are 62°. S(1) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_IrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   5.746
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.688
_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
  Ir  Ir0  1  0.500  0.500  0.000  1.0
  Ir  Ir1  1  0.500  0.000  0.500  1.0
  Ir  Ir2  1  0.000  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.133  0.867  0.367  1.0
  S  S5  1  0.867  0.367  0.133  1.0
  S  S6  1  0.367  0.133  0.867  1.0
  S  S7  1  0.633  0.633  0.633  1.0
  S  S8  1  0.867  0.133  0.633  1.0
  S  S9  1  0.133  0.633  0.867  1.0
  S  S10  1  0.633  0.867  0.133  1.0
  S  S11  1  0.367  0.367  0.367  1.0
[/CIF]
.
The material described by IrS2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ir(1) is bonded to six equivalent S(1) atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedral tilt angles are 62°. S(1) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_IrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   5.746
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.688
_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
  Ir  Ir0  1  0.500  0.500  0.000  1.0
  Ir  Ir1  1  0.500  0.000  0.500  1.0
  Ir  Ir2  1  0.000  0.500  0.500  1.0
  Ir  Ir3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.133  0.867  0.367  1.0
  S  S5  1  0.867  0.367  0.133  1.0
  S  S6  1  0.367  0.133  0.867  1.0
  S  S7  1  0.633  0.633  0.633  1.0
  S  S8  1  0.867  0.133  0.633  1.0
  S  S9  1  0.133  0.633  0.867  1.0
  S  S10  1  0.633  0.867  0.133  1.0
  S  S11  1  0.367  0.367  0.367  1.0
[/CIF]
.