The crystal structure described by Mn4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Mn site, Mn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. Ir(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(4), two equivalent Mn(3), and one Ir(1) atom to form distorted NMn4Ir trigonal bipyramids that share corners with four equivalent N(3)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(1)Mn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Mn(1), two equivalent Mn(2), and one Ir(1) atom to form NMn3Ir trigonal pyramids that share corners with two equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(3)Mn5 trigonal bipyramids, and  an edgeedge with one N(2)Mn3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form NMn5 trigonal bipyramids that share corners with four equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(3)Mn5 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Mn4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.777
_cell_length_c   7.774
_cell_angle_alpha   59.525
_cell_angle_beta   68.097
_cell_angle_gamma   56.332
_symmetry_Int_Tables_number   1
_cell_volume   181.547
_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
  Mn  Mn0  1  0.732  0.586  0.224  1.0
  Mn  Mn1  1  0.268  0.414  0.776  1.0
  Mn  Mn2  1  0.702  0.216  0.006  1.0
  Mn  Mn3  1  0.298  0.784  0.994  1.0
  Mn  Mn4  1  0.764  0.501  0.587  1.0
  Mn  Mn5  1  0.236  0.499  0.413  1.0
  Mn  Mn6  1  0.285  0.964  0.594  1.0
  Mn  Mn7  1  0.715  0.036  0.406  1.0
  Ir  Ir8  1  0.795  0.936  0.773  1.0
  Ir  Ir9  1  0.205  0.064  0.227  1.0
  N  N10  1  0.951  0.664  0.613  1.0
  N  N11  1  0.049  0.336  0.387  1.0
  N  N12  1  0.925  0.812  0.022  1.0
  N  N13  1  0.075  0.188  0.978  1.0
  N  N14  1  0.462  0.575  0.806  1.0
  N  N15  1  0.538  0.425  0.194  1.0
  N  N16  1  0.551  0.854  0.372  1.0
  N  N17  1  0.449  0.146  0.628  1.0
[/CIF]
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The crystal structure described by Mn4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Mn site, Mn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. Ir(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(4), two equivalent Mn(3), and one Ir(1) atom to form distorted NMn4Ir trigonal bipyramids that share corners with four equivalent N(3)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(1)Mn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Mn(1), two equivalent Mn(2), and one Ir(1) atom to form NMn3Ir trigonal pyramids that share corners with two equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(3)Mn5 trigonal bipyramids, and  an edgeedge with one N(2)Mn3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form NMn5 trigonal bipyramids that share corners with four equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(3)Mn5 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Mn4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.777
_cell_length_c   7.774
_cell_angle_alpha   59.525
_cell_angle_beta   68.097
_cell_angle_gamma   56.332
_symmetry_Int_Tables_number   1
_cell_volume   181.547
_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
  Mn  Mn0  1  0.732  0.586  0.224  1.0
  Mn  Mn1  1  0.268  0.414  0.776  1.0
  Mn  Mn2  1  0.702  0.216  0.006  1.0
  Mn  Mn3  1  0.298  0.784  0.994  1.0
  Mn  Mn4  1  0.764  0.501  0.587  1.0
  Mn  Mn5  1  0.236  0.499  0.413  1.0
  Mn  Mn6  1  0.285  0.964  0.594  1.0
  Mn  Mn7  1  0.715  0.036  0.406  1.0
  Ir  Ir8  1  0.795  0.936  0.773  1.0
  Ir  Ir9  1  0.205  0.064  0.227  1.0
  N  N10  1  0.951  0.664  0.613  1.0
  N  N11  1  0.049  0.336  0.387  1.0
  N  N12  1  0.925  0.812  0.022  1.0
  N  N13  1  0.075  0.188  0.978  1.0
  N  N14  1  0.462  0.575  0.806  1.0
  N  N15  1  0.538  0.425  0.194  1.0
  N  N16  1  0.551  0.854  0.372  1.0
  N  N17  1  0.449  0.146  0.628  1.0
[/CIF]
.