The material structure described by MgIrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Ir(1)N4 tetrahedra. Ir(1) is bonded to four equivalent N(1) atoms to form IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. N(1) is bonded to two equivalent Mg(1) and two equivalent Ir(1) atoms to form corner-sharing NMg2Ir2 tetrahedra. is represented by the CIF file [CIF]
data_MgIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   4.713
_cell_length_c   9.284
_cell_angle_alpha   90.000
_cell_angle_beta   144.327
_cell_angle_gamma   114.353
_symmetry_Int_Tables_number   1
_cell_volume   103.097
_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
  Mg  Mg0  1  0.000  0.500  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.500  0.750  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.978  0.125  1.0
  N  N5  1  0.500  0.022  0.625  1.0
  N  N6  1  0.544  0.522  0.397  1.0
  N  N7  1  0.456  0.478  0.853  1.0
[/CIF]
.
The material structure described by MgIrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Ir(1)N4 tetrahedra. Ir(1) is bonded to four equivalent N(1) atoms to form IrN4 tetrahedra that share corners with four equivalent Ir(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. N(1) is bonded to two equivalent Mg(1) and two equivalent Ir(1) atoms to form corner-sharing NMg2Ir2 tetrahedra. is represented by the CIF file [CIF]
data_MgIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.714
_cell_length_b   4.713
_cell_length_c   9.284
_cell_angle_alpha   90.000
_cell_angle_beta   144.327
_cell_angle_gamma   114.353
_symmetry_Int_Tables_number   1
_cell_volume   103.097
_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
  Mg  Mg0  1  0.000  0.500  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Ir  Ir2  1  0.000  0.500  0.750  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.500  0.978  0.125  1.0
  N  N5  1  0.500  0.022  0.625  1.0
  N  N6  1  0.544  0.522  0.397  1.0
  N  N7  1  0.456  0.478  0.853  1.0
[/CIF]
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