The structure described by Fe2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Fe(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Fe(1) atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(1) is bonded to six equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF card [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   4.752
_cell_length_c   4.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.503
_cell_formula_units_Z   3
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  0.000  0.670  0.748  1.0
  Fe  Fe1  1  0.670  0.000  0.748  1.0
  Fe  Fe2  1  0.330  0.330  0.748  1.0
  Fe  Fe3  1  0.670  0.670  0.252  1.0
  Fe  Fe4  1  0.000  0.330  0.252  1.0
  Fe  Fe5  1  0.330  0.000  0.252  1.0
  N  N6  1  0.667  0.333  0.500  1.0
  N  N7  1  0.333  0.667  0.500  1.0
  N  N8  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Fe2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Fe(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Fe(1) atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(1) is bonded to six equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF card [CIF]
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   4.752
_cell_length_c   4.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.503
_cell_formula_units_Z   3
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  0.000  0.670  0.748  1.0
  Fe  Fe1  1  0.670  0.000  0.748  1.0
  Fe  Fe2  1  0.330  0.330  0.748  1.0
  Fe  Fe3  1  0.670  0.670  0.252  1.0
  Fe  Fe4  1  0.000  0.330  0.252  1.0
  Fe  Fe5  1  0.330  0.000  0.252  1.0
  N  N6  1  0.667  0.333  0.500  1.0
  N  N7  1  0.333  0.667  0.500  1.0
  N  N8  1  0.000  0.000  0.000  1.0
[/CIF]
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