The crystal structure described by LiIrN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form LiN4 tetrahedra that share corners with four equivalent Li(1)N4 tetrahedra and corners with eight equivalent Ir(1)N4 tetrahedra. Ir(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra and corners with eight equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. is represented by the CIF file [CIF]
data_LiIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   6.593
_cell_length_c   5.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.028
_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
  Li  Li0  1  0.591  0.373  0.999  1.0
  Li  Li1  1  0.409  0.627  0.499  1.0
  Li  Li2  1  0.909  0.873  0.499  1.0
  Li  Li3  1  0.091  0.127  0.999  1.0
  Ir  Ir4  1  0.578  0.858  0.012  1.0
  Ir  Ir5  1  0.422  0.142  0.512  1.0
  Ir  Ir6  1  0.922  0.358  0.512  1.0
  Ir  Ir7  1  0.078  0.642  0.012  1.0
  N  N8  1  0.605  0.370  0.397  1.0
  N  N9  1  0.395  0.630  0.897  1.0
  N  N10  1  0.895  0.870  0.897  1.0
  N  N11  1  0.105  0.130  0.397  1.0
  N  N12  1  0.558  0.902  0.362  1.0
  N  N13  1  0.442  0.098  0.862  1.0
  N  N14  1  0.942  0.402  0.862  1.0
  N  N15  1  0.058  0.598  0.362  1.0
[/CIF]
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The crystal structure described by LiIrN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form LiN4 tetrahedra that share corners with four equivalent Li(1)N4 tetrahedra and corners with eight equivalent Ir(1)N4 tetrahedra. Ir(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra and corners with eight equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. In the second N site, N(2) is bonded to two equivalent Li(1) and two equivalent Ir(1) atoms to form corner-sharing NLi2Ir2 tetrahedra. is represented by the CIF file [CIF]
data_LiIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   6.593
_cell_length_c   5.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.028
_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
  Li  Li0  1  0.591  0.373  0.999  1.0
  Li  Li1  1  0.409  0.627  0.499  1.0
  Li  Li2  1  0.909  0.873  0.499  1.0
  Li  Li3  1  0.091  0.127  0.999  1.0
  Ir  Ir4  1  0.578  0.858  0.012  1.0
  Ir  Ir5  1  0.422  0.142  0.512  1.0
  Ir  Ir6  1  0.922  0.358  0.512  1.0
  Ir  Ir7  1  0.078  0.642  0.012  1.0
  N  N8  1  0.605  0.370  0.397  1.0
  N  N9  1  0.395  0.630  0.897  1.0
  N  N10  1  0.895  0.870  0.897  1.0
  N  N11  1  0.105  0.130  0.397  1.0
  N  N12  1  0.558  0.902  0.362  1.0
  N  N13  1  0.442  0.098  0.862  1.0
  N  N14  1  0.942  0.402  0.862  1.0
  N  N15  1  0.058  0.598  0.362  1.0
[/CIF]
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