The material described by IrN2 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form IrN6 octahedra that share corners with eight equivalent Ir(1)N6 octahedra, corners with three equivalent N(1)Ir3N tetrahedra, corners with three equivalent N(2)Ir3N tetrahedra, and edges with two equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Ir(1) and one N(1) atom to form NIr3N tetrahedra that share corners with three equivalent Ir(1)N6 octahedra, corners with four equivalent N(2)Ir3N tetrahedra, corners with nine equivalent N(1)Ir3N tetrahedra, and  an edgeedge with one N(2)Ir3N tetrahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the second N site, N(1) is bonded to three equivalent Ir(1) and one N(2) atom to form NIr3N tetrahedra that share corners with three equivalent Ir(1)N6 octahedra, corners with four equivalent N(1)Ir3N tetrahedra, corners with nine equivalent N(2)Ir3N tetrahedra, and  an edgeedge with one N(1)Ir3N tetrahedra. The corner-sharing octahedral tilt angles range from 64-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.879
_cell_length_c   4.917
_cell_angle_alpha   72.062
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.608
_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  0.233  0.279  1.0
  Ir  Ir1  1  1.000  0.767  0.221  1.0
  Ir  Ir2  1  0.500  0.767  0.721  1.0
  Ir  Ir3  1  0.000  0.233  0.779  1.0
  N  N4  1  0.914  0.325  0.341  1.0
  N  N5  1  0.414  0.675  0.159  1.0
  N  N6  1  0.086  0.675  0.659  1.0
  N  N7  1  0.586  0.325  0.841  1.0
  N  N8  1  0.403  0.186  0.701  1.0
  N  N9  1  0.903  0.814  0.799  1.0
  N  N10  1  0.597  0.814  0.299  1.0
  N  N11  1  0.097  0.186  0.201  1.0
[/CIF]
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The material described by IrN2 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. Ir(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form IrN6 octahedra that share corners with eight equivalent Ir(1)N6 octahedra, corners with three equivalent N(1)Ir3N tetrahedra, corners with three equivalent N(2)Ir3N tetrahedra, and edges with two equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Ir(1) and one N(1) atom to form NIr3N tetrahedra that share corners with three equivalent Ir(1)N6 octahedra, corners with four equivalent N(2)Ir3N tetrahedra, corners with nine equivalent N(1)Ir3N tetrahedra, and  an edgeedge with one N(2)Ir3N tetrahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the second N site, N(1) is bonded to three equivalent Ir(1) and one N(2) atom to form NIr3N tetrahedra that share corners with three equivalent Ir(1)N6 octahedra, corners with four equivalent N(1)Ir3N tetrahedra, corners with nine equivalent N(2)Ir3N tetrahedra, and  an edgeedge with one N(1)Ir3N tetrahedra. The corner-sharing octahedral tilt angles range from 64-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.879
_cell_length_c   4.917
_cell_angle_alpha   72.062
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.608
_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  0.233  0.279  1.0
  Ir  Ir1  1  1.000  0.767  0.221  1.0
  Ir  Ir2  1  0.500  0.767  0.721  1.0
  Ir  Ir3  1  0.000  0.233  0.779  1.0
  N  N4  1  0.914  0.325  0.341  1.0
  N  N5  1  0.414  0.675  0.159  1.0
  N  N6  1  0.086  0.675  0.659  1.0
  N  N7  1  0.586  0.325  0.841  1.0
  N  N8  1  0.403  0.186  0.701  1.0
  N  N9  1  0.903  0.814  0.799  1.0
  N  N10  1  0.597  0.814  0.299  1.0
  N  N11  1  0.097  0.186  0.201  1.0
[/CIF]
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