The structure described by Fe2N is zeta iron carbide-like structured and crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(3) atoms. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second N site, N(2) is bonded to two equivalent Fe(3) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third N site, N(3) is bonded to two equivalent Fe(3) and four equivalent Fe(2) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. is represented by the CIF card [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.432
_cell_length_b   4.928
_cell_length_c   8.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.799
_cell_formula_units_Z   6
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
  Fe  Fe0  1  0.267  0.169  0.590  1.0
  Fe  Fe1  1  0.767  0.331  0.410  1.0
  Fe  Fe2  1  0.233  0.657  0.083  1.0
  Fe  Fe3  1  0.233  0.669  0.410  1.0
  Fe  Fe4  1  0.270  0.668  0.744  1.0
  Fe  Fe5  1  0.770  0.832  0.256  1.0
  Fe  Fe6  1  0.733  0.831  0.590  1.0
  Fe  Fe7  1  0.267  0.157  0.917  1.0
  Fe  Fe8  1  0.230  0.168  0.256  1.0
  Fe  Fe9  1  0.730  0.332  0.744  1.0
  Fe  Fe10  1  0.767  0.343  0.083  1.0
  Fe  Fe11  1  0.733  0.843  0.917  1.0
  N  N12  1  0.000  0.000  0.752  1.0
  N  N13  1  0.000  0.500  0.583  1.0
  N  N14  1  0.500  0.000  0.417  1.0
  N  N15  1  0.000  0.000  0.081  1.0
  N  N16  1  0.500  0.500  0.919  1.0
  N  N17  1  0.500  0.500  0.248  1.0
[/CIF]
.
The structure described by Fe2N is zeta iron carbide-like structured and crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(3) atoms. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second N site, N(2) is bonded to two equivalent Fe(3) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third N site, N(3) is bonded to two equivalent Fe(3) and four equivalent Fe(2) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. is represented by the CIF card [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.432
_cell_length_b   4.928
_cell_length_c   8.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.799
_cell_formula_units_Z   6
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
  Fe  Fe0  1  0.267  0.169  0.590  1.0
  Fe  Fe1  1  0.767  0.331  0.410  1.0
  Fe  Fe2  1  0.233  0.657  0.083  1.0
  Fe  Fe3  1  0.233  0.669  0.410  1.0
  Fe  Fe4  1  0.270  0.668  0.744  1.0
  Fe  Fe5  1  0.770  0.832  0.256  1.0
  Fe  Fe6  1  0.733  0.831  0.590  1.0
  Fe  Fe7  1  0.267  0.157  0.917  1.0
  Fe  Fe8  1  0.230  0.168  0.256  1.0
  Fe  Fe9  1  0.730  0.332  0.744  1.0
  Fe  Fe10  1  0.767  0.343  0.083  1.0
  Fe  Fe11  1  0.733  0.843  0.917  1.0
  N  N12  1  0.000  0.000  0.752  1.0
  N  N13  1  0.000  0.500  0.583  1.0
  N  N14  1  0.500  0.000  0.417  1.0
  N  N15  1  0.000  0.000  0.081  1.0
  N  N16  1  0.500  0.500  0.919  1.0
  N  N17  1  0.500  0.500  0.248  1.0
[/CIF]
.