The material structure described by IrO3 crystallizes in the orthorhombic Amm2 space group. Ir(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 2-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   3.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.345
_symmetry_Int_Tables_number   1
_cell_volume   98.927
_cell_formula_units_Z   2
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  0.497  0.009  0.500  1.0
  Ir  Ir1  1  0.991  0.503  0.500  1.0
  O  O2  1  0.175  0.825  0.500  1.0
  O  O3  1  0.664  0.666  0.500  1.0
  O  O4  1  0.334  0.336  0.500  1.0
  O  O5  1  0.843  0.157  0.500  1.0
  O  O6  1  0.501  0.006  0.000  1.0
  O  O7  1  0.994  0.499  0.000  1.0
[/CIF]
.
The material structure described by IrO3 crystallizes in the orthorhombic Amm2 space group. Ir(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 2-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Ir(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   3.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.345
_symmetry_Int_Tables_number   1
_cell_volume   98.927
_cell_formula_units_Z   2
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  0.497  0.009  0.500  1.0
  Ir  Ir1  1  0.991  0.503  0.500  1.0
  O  O2  1  0.175  0.825  0.500  1.0
  O  O3  1  0.664  0.666  0.500  1.0
  O  O4  1  0.334  0.336  0.500  1.0
  O  O5  1  0.843  0.157  0.500  1.0
  O  O6  1  0.501  0.006  0.000  1.0
  O  O7  1  0.994  0.499  0.000  1.0
[/CIF]
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