The material structure described by BaIrN2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Ir(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ir(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Ir(1) atom. is represented by the CIF card [CIF]
data_BaIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.409
_cell_length_b   13.500
_cell_length_c   7.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.358
_symmetry_Int_Tables_number   1
_cell_volume   317.080
_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
  Ba  Ba0  1  0.000  0.139  0.584  1.0
  Ba  Ba1  1  0.000  0.861  0.416  1.0
  Ba  Ba2  1  0.000  0.361  0.084  1.0
  Ba  Ba3  1  0.000  0.639  0.916  1.0
  Ir  Ir4  1  0.000  0.411  0.633  1.0
  Ir  Ir5  1  0.000  0.589  0.367  1.0
  Ir  Ir6  1  0.000  0.089  0.133  1.0
  Ir  Ir7  1  0.000  0.911  0.867  1.0
  N  N8  1  0.000  0.170  0.948  1.0
  N  N9  1  0.000  0.830  0.052  1.0
  N  N10  1  0.000  0.330  0.448  1.0
  N  N11  1  0.000  0.670  0.552  1.0
  N  N12  1  0.500  0.713  0.750  1.0
  N  N13  1  0.500  0.787  0.250  1.0
  N  N14  1  0.500  0.287  0.250  1.0
  N  N15  1  0.500  0.213  0.750  1.0
[/CIF]
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The material structure described by BaIrN2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. Ir(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Ir(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Ir(1) atom. is represented by the CIF card [CIF]
data_BaIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.409
_cell_length_b   13.500
_cell_length_c   7.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.358
_symmetry_Int_Tables_number   1
_cell_volume   317.080
_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
  Ba  Ba0  1  0.000  0.139  0.584  1.0
  Ba  Ba1  1  0.000  0.861  0.416  1.0
  Ba  Ba2  1  0.000  0.361  0.084  1.0
  Ba  Ba3  1  0.000  0.639  0.916  1.0
  Ir  Ir4  1  0.000  0.411  0.633  1.0
  Ir  Ir5  1  0.000  0.589  0.367  1.0
  Ir  Ir6  1  0.000  0.089  0.133  1.0
  Ir  Ir7  1  0.000  0.911  0.867  1.0
  N  N8  1  0.000  0.170  0.948  1.0
  N  N9  1  0.000  0.830  0.052  1.0
  N  N10  1  0.000  0.330  0.448  1.0
  N  N11  1  0.000  0.670  0.552  1.0
  N  N12  1  0.500  0.713  0.750  1.0
  N  N13  1  0.500  0.787  0.250  1.0
  N  N14  1  0.500  0.287  0.250  1.0
  N  N15  1  0.500  0.213  0.750  1.0
[/CIF]
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