The structure described by Fe2N is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Fe(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.347
_cell_length_b   4.746
_cell_length_c   5.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.837
_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
  Fe  Fe0  1  0.251  0.085  0.873  1.0
  Fe  Fe1  1  0.751  0.915  0.627  1.0
  Fe  Fe2  1  0.249  0.585  0.627  1.0
  Fe  Fe3  1  0.749  0.415  0.873  1.0
  Fe  Fe4  1  0.251  0.585  0.127  1.0
  Fe  Fe5  1  0.751  0.415  0.373  1.0
  Fe  Fe6  1  0.249  0.085  0.373  1.0
  Fe  Fe7  1  0.749  0.915  0.127  1.0
  N  N8  1  0.500  0.750  0.865  1.0
  N  N9  1  0.000  0.250  0.635  1.0
  N  N10  1  0.500  0.250  0.135  1.0
  N  N11  1  0.000  0.750  0.365  1.0
[/CIF]
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The structure described by Fe2N is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Fe(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.347
_cell_length_b   4.746
_cell_length_c   5.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.837
_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
  Fe  Fe0  1  0.251  0.085  0.873  1.0
  Fe  Fe1  1  0.751  0.915  0.627  1.0
  Fe  Fe2  1  0.249  0.585  0.627  1.0
  Fe  Fe3  1  0.749  0.415  0.873  1.0
  Fe  Fe4  1  0.251  0.585  0.127  1.0
  Fe  Fe5  1  0.751  0.415  0.373  1.0
  Fe  Fe6  1  0.249  0.085  0.373  1.0
  Fe  Fe7  1  0.749  0.915  0.127  1.0
  N  N8  1  0.500  0.750  0.865  1.0
  N  N9  1  0.000  0.250  0.635  1.0
  N  N10  1  0.500  0.250  0.135  1.0
  N  N11  1  0.000  0.750  0.365  1.0
[/CIF]
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