The crystal structure described by IrZn4N4 crystallizes in the triclinic P-1 space group. Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one N(3) 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 Zn(1), one Zn(3), and two equivalent Zn(4) atoms to form distorted NZn4Ir trigonal bipyramids that share corners with two equivalent N(2)Zn3Ir tetrahedra, corners with four equivalent N(4)Zn3Ir tetrahedra, corners with two equivalent N(3)Zn4Ir trigonal bipyramids,  an edgeedge with one N(1)Zn4Ir trigonal bipyramid, and  an edgeedge with one N(3)Zn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Ir(1), one Zn(1), and two equivalent Zn(2) atoms to form NZn3Ir tetrahedra that share corners with two equivalent N(4)Zn3Ir tetrahedra, corners with two equivalent N(1)Zn4Ir trigonal bipyramids, corners with five equivalent N(3)Zn4Ir trigonal bipyramids, and  an edgeedge with one N(2)Zn3Ir tetrahedra. In the third N site, N(3) is bonded to one Ir(1), one Zn(3), one Zn(4), and two equivalent Zn(2) atoms to form NZn4Ir trigonal bipyramids that share corners with three equivalent N(4)Zn3Ir tetrahedra, corners with five equivalent N(2)Zn3Ir tetrahedra, corners with two equivalent N(1)Zn4Ir trigonal bipyramids,  an edgeedge with one N(1)Zn4Ir trigonal bipyramid, and  an edgeedge with one N(3)Zn4Ir trigonal bipyramid. In the fourth N site, N(4) is bonded to one Ir(1), one Zn(1), and two equivalent Zn(3) atoms to form NZn3Ir tetrahedra that share corners with two equivalent N(2)Zn3Ir tetrahedra, corners with three equivalent N(3)Zn4Ir trigonal bipyramids, corners with four equivalent N(1)Zn4Ir trigonal bipyramids, and  an edgeedge with one N(4)Zn3Ir tetrahedra. is represented by the CIF file [CIF]
data_Zn4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.792
_cell_length_c   8.868
_cell_angle_alpha   61.845
_cell_angle_beta   85.843
_cell_angle_gamma   67.005
_symmetry_Int_Tables_number   1
_cell_volume   229.185
_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
  Zn  Zn0  1  0.814  0.628  0.256  1.0
  Zn  Zn1  1  0.186  0.372  0.744  1.0
  Zn  Zn2  1  0.737  0.257  0.003  1.0
  Zn  Zn3  1  0.263  0.743  0.997  1.0
  Zn  Zn4  1  0.629  0.583  0.600  1.0
  Zn  Zn5  1  0.371  0.417  0.400  1.0
  Zn  Zn6  1  0.154  0.951  0.634  1.0
  Zn  Zn7  1  0.846  0.049  0.366  1.0
  Ir  Ir8  1  0.751  0.860  0.811  1.0
  Ir  Ir9  1  0.249  0.140  0.189  1.0
  N  N10  1  0.891  0.747  0.614  1.0
  N  N11  1  0.109  0.253  0.386  1.0
  N  N12  1  0.846  0.860  0.009  1.0
  N  N13  1  0.154  0.140  0.991  1.0
  N  N14  1  0.503  0.683  0.809  1.0
  N  N15  1  0.497  0.317  0.191  1.0
  N  N16  1  0.481  0.748  0.346  1.0
  N  N17  1  0.519  0.252  0.654  1.0
[/CIF]
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The crystal structure described by IrZn4N4 crystallizes in the triclinic P-1 space group. Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one N(3) 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 Zn(1), one Zn(3), and two equivalent Zn(4) atoms to form distorted NZn4Ir trigonal bipyramids that share corners with two equivalent N(2)Zn3Ir tetrahedra, corners with four equivalent N(4)Zn3Ir tetrahedra, corners with two equivalent N(3)Zn4Ir trigonal bipyramids,  an edgeedge with one N(1)Zn4Ir trigonal bipyramid, and  an edgeedge with one N(3)Zn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Ir(1), one Zn(1), and two equivalent Zn(2) atoms to form NZn3Ir tetrahedra that share corners with two equivalent N(4)Zn3Ir tetrahedra, corners with two equivalent N(1)Zn4Ir trigonal bipyramids, corners with five equivalent N(3)Zn4Ir trigonal bipyramids, and  an edgeedge with one N(2)Zn3Ir tetrahedra. In the third N site, N(3) is bonded to one Ir(1), one Zn(3), one Zn(4), and two equivalent Zn(2) atoms to form NZn4Ir trigonal bipyramids that share corners with three equivalent N(4)Zn3Ir tetrahedra, corners with five equivalent N(2)Zn3Ir tetrahedra, corners with two equivalent N(1)Zn4Ir trigonal bipyramids,  an edgeedge with one N(1)Zn4Ir trigonal bipyramid, and  an edgeedge with one N(3)Zn4Ir trigonal bipyramid. In the fourth N site, N(4) is bonded to one Ir(1), one Zn(1), and two equivalent Zn(3) atoms to form NZn3Ir tetrahedra that share corners with two equivalent N(2)Zn3Ir tetrahedra, corners with three equivalent N(3)Zn4Ir trigonal bipyramids, corners with four equivalent N(1)Zn4Ir trigonal bipyramids, and  an edgeedge with one N(4)Zn3Ir tetrahedra. is represented by the CIF file [CIF]
data_Zn4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.792
_cell_length_c   8.868
_cell_angle_alpha   61.845
_cell_angle_beta   85.843
_cell_angle_gamma   67.005
_symmetry_Int_Tables_number   1
_cell_volume   229.185
_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
  Zn  Zn0  1  0.814  0.628  0.256  1.0
  Zn  Zn1  1  0.186  0.372  0.744  1.0
  Zn  Zn2  1  0.737  0.257  0.003  1.0
  Zn  Zn3  1  0.263  0.743  0.997  1.0
  Zn  Zn4  1  0.629  0.583  0.600  1.0
  Zn  Zn5  1  0.371  0.417  0.400  1.0
  Zn  Zn6  1  0.154  0.951  0.634  1.0
  Zn  Zn7  1  0.846  0.049  0.366  1.0
  Ir  Ir8  1  0.751  0.860  0.811  1.0
  Ir  Ir9  1  0.249  0.140  0.189  1.0
  N  N10  1  0.891  0.747  0.614  1.0
  N  N11  1  0.109  0.253  0.386  1.0
  N  N12  1  0.846  0.860  0.009  1.0
  N  N13  1  0.154  0.140  0.991  1.0
  N  N14  1  0.503  0.683  0.809  1.0
  N  N15  1  0.497  0.317  0.191  1.0
  N  N16  1  0.481  0.748  0.346  1.0
  N  N17  1  0.519  0.252  0.654  1.0
[/CIF]
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