The crystal structure described by IrN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Ir(1) is bonded to six equivalent N(1) atoms to form corner-sharing IrN6 octahedra. The corner-sharing octahedral tilt angles are 68°. N(1) is bonded in a trigonal planar geometry to two equivalent Ir(1) and one N(1) atom. is represented by the CIF card [CIF]
data_IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   5.947
_cell_length_c   5.947
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   161.892
_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  0.500  1.0
  Ir  Ir1  1  0.500  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.909  0.693  0.601  1.0
  N  N5  1  0.091  0.307  0.399  1.0
  N  N6  1  0.091  0.693  0.784  1.0
  N  N7  1  0.909  0.307  0.216  1.0
  N  N8  1  0.693  0.601  0.909  1.0
  N  N9  1  0.307  0.399  0.091  1.0
  N  N10  1  0.693  0.784  0.091  1.0
  N  N11  1  0.307  0.216  0.909  1.0
  N  N12  1  0.601  0.909  0.693  1.0
  N  N13  1  0.399  0.091  0.307  1.0
  N  N14  1  0.216  0.909  0.307  1.0
  N  N15  1  0.784  0.091  0.693  1.0
[/CIF]
.
The crystal structure described by IrN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Ir(1) is bonded to six equivalent N(1) atoms to form corner-sharing IrN6 octahedra. The corner-sharing octahedral tilt angles are 68°. N(1) is bonded in a trigonal planar geometry to two equivalent Ir(1) and one N(1) atom. is represented by the CIF card [CIF]
data_IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   5.947
_cell_length_c   5.947
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   161.892
_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  0.500  1.0
  Ir  Ir1  1  0.500  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.909  0.693  0.601  1.0
  N  N5  1  0.091  0.307  0.399  1.0
  N  N6  1  0.091  0.693  0.784  1.0
  N  N7  1  0.909  0.307  0.216  1.0
  N  N8  1  0.693  0.601  0.909  1.0
  N  N9  1  0.307  0.399  0.091  1.0
  N  N10  1  0.693  0.784  0.091  1.0
  N  N11  1  0.307  0.216  0.909  1.0
  N  N12  1  0.601  0.909  0.693  1.0
  N  N13  1  0.399  0.091  0.307  1.0
  N  N14  1  0.216  0.909  0.307  1.0
  N  N15  1  0.784  0.091  0.693  1.0
[/CIF]
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