The crystal structure described by IrNi4N4 crystallizes in the triclinic P-1 space group. Ir(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted IrN4 tetrahedra that share  a cornercorner with one N(3)Ni2IrN tetrahedra and corners with four equivalent Ni(1)N4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted NiN4 tetrahedra that share  a cornercorner with one N(3)Ni2IrN tetrahedra and corners with four equivalent Ir(1)N4 tetrahedra. In the second Ni site, Ni(2) is bonded in a T-shaped geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(4) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ir(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form distorted NNi4Ir trigonal bipyramids that share corners with two equivalent N(3)Ni2IrN tetrahedra, corners with four equivalent N(4)Ni4Ir trigonal bipyramids, corners with two equivalent N(2)Ni3Ir trigonal pyramids,  an edgeedge with one N(1)Ni4Ir trigonal bipyramid, and  an edgeedge with one N(4)Ni4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Ir(1), one Ni(1), and two equivalent Ni(2) atoms to form NNi3Ir trigonal pyramids that share corners with four equivalent N(3)Ni2IrN tetrahedra, corners with two equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(4)Ni4Ir trigonal bipyramids, and  an edgeedge with one N(2)Ni3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Ir(1), one Ni(1), one Ni(2), and one N(3) atom to form distorted NNi2IrN tetrahedra that share  a cornercorner with one Ir(1)N4 tetrahedra,  a cornercorner with one Ni(1)N4 tetrahedra, corners with two equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(4)Ni4Ir trigonal bipyramids, and corners with four equivalent N(2)Ni3Ir trigonal pyramids. In the fourth N site, N(4) is bonded to one Ir(1), one Ni(1), one Ni(4), and two equivalent Ni(3) atoms to form distorted NNi4Ir trigonal bipyramids that share corners with two equivalent N(3)Ni2IrN tetrahedra, corners with four equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(2)Ni3Ir trigonal pyramids,  an edgeedge with one N(1)Ni4Ir trigonal bipyramid, and  an edgeedge with one N(4)Ni4Ir trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   4.805
_cell_length_c   8.727
_cell_angle_alpha   66.654
_cell_angle_beta   99.098
_cell_angle_gamma   84.931
_symmetry_Int_Tables_number   1
_cell_volume   189.722
_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
  Ni  Ni0  1  0.781  0.566  0.215  1.0
  Ni  Ni1  1  0.219  0.434  0.785  1.0
  Ni  Ni2  1  0.875  0.289  0.956  1.0
  Ni  Ni3  1  0.125  0.711  0.044  1.0
  Ni  Ni4  1  0.692  0.513  0.599  1.0
  Ni  Ni5  1  0.308  0.487  0.401  1.0
  Ni  Ni6  1  0.134  0.079  0.600  1.0
  Ni  Ni7  1  0.866  0.921  0.400  1.0
  Ir  Ir8  1  0.694  0.887  0.784  1.0
  Ir  Ir9  1  0.306  0.113  0.216  1.0
  N  N10  1  0.926  0.764  0.646  1.0
  N  N11  1  0.074  0.236  0.354  1.0
  N  N12  1  0.775  0.907  0.006  1.0
  N  N13  1  0.225  0.093  0.994  1.0
  N  N14  1  0.533  0.502  0.930  1.0
  N  N15  1  0.467  0.498  0.070  1.0
  N  N16  1  0.583  0.732  0.342  1.0
  N  N17  1  0.417  0.268  0.658  1.0
[/CIF]
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The crystal structure described by IrNi4N4 crystallizes in the triclinic P-1 space group. Ir(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted IrN4 tetrahedra that share  a cornercorner with one N(3)Ni2IrN tetrahedra and corners with four equivalent Ni(1)N4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted NiN4 tetrahedra that share  a cornercorner with one N(3)Ni2IrN tetrahedra and corners with four equivalent Ir(1)N4 tetrahedra. In the second Ni site, Ni(2) is bonded in a T-shaped geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(4) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ir(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form distorted NNi4Ir trigonal bipyramids that share corners with two equivalent N(3)Ni2IrN tetrahedra, corners with four equivalent N(4)Ni4Ir trigonal bipyramids, corners with two equivalent N(2)Ni3Ir trigonal pyramids,  an edgeedge with one N(1)Ni4Ir trigonal bipyramid, and  an edgeedge with one N(4)Ni4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Ir(1), one Ni(1), and two equivalent Ni(2) atoms to form NNi3Ir trigonal pyramids that share corners with four equivalent N(3)Ni2IrN tetrahedra, corners with two equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(4)Ni4Ir trigonal bipyramids, and  an edgeedge with one N(2)Ni3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Ir(1), one Ni(1), one Ni(2), and one N(3) atom to form distorted NNi2IrN tetrahedra that share  a cornercorner with one Ir(1)N4 tetrahedra,  a cornercorner with one Ni(1)N4 tetrahedra, corners with two equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(4)Ni4Ir trigonal bipyramids, and corners with four equivalent N(2)Ni3Ir trigonal pyramids. In the fourth N site, N(4) is bonded to one Ir(1), one Ni(1), one Ni(4), and two equivalent Ni(3) atoms to form distorted NNi4Ir trigonal bipyramids that share corners with two equivalent N(3)Ni2IrN tetrahedra, corners with four equivalent N(1)Ni4Ir trigonal bipyramids, corners with two equivalent N(2)Ni3Ir trigonal pyramids,  an edgeedge with one N(1)Ni4Ir trigonal bipyramid, and  an edgeedge with one N(4)Ni4Ir trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   4.805
_cell_length_c   8.727
_cell_angle_alpha   66.654
_cell_angle_beta   99.098
_cell_angle_gamma   84.931
_symmetry_Int_Tables_number   1
_cell_volume   189.722
_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
  Ni  Ni0  1  0.781  0.566  0.215  1.0
  Ni  Ni1  1  0.219  0.434  0.785  1.0
  Ni  Ni2  1  0.875  0.289  0.956  1.0
  Ni  Ni3  1  0.125  0.711  0.044  1.0
  Ni  Ni4  1  0.692  0.513  0.599  1.0
  Ni  Ni5  1  0.308  0.487  0.401  1.0
  Ni  Ni6  1  0.134  0.079  0.600  1.0
  Ni  Ni7  1  0.866  0.921  0.400  1.0
  Ir  Ir8  1  0.694  0.887  0.784  1.0
  Ir  Ir9  1  0.306  0.113  0.216  1.0
  N  N10  1  0.926  0.764  0.646  1.0
  N  N11  1  0.074  0.236  0.354  1.0
  N  N12  1  0.775  0.907  0.006  1.0
  N  N13  1  0.225  0.093  0.994  1.0
  N  N14  1  0.533  0.502  0.930  1.0
  N  N15  1  0.467  0.498  0.070  1.0
  N  N16  1  0.583  0.732  0.342  1.0
  N  N17  1  0.417  0.268  0.658  1.0
[/CIF]
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