The material described by LiFeN is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent N(1) atoms. Fe(1) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NLi3Fe3 octahedra. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF card [CIF]
data_LiFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.065
_cell_length_b   9.191
_cell_length_c   5.655
_cell_angle_alpha   89.994
_cell_angle_beta   122.821
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.874
_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
  Li  Li0  1  0.464  0.495  0.714  1.0
  Li  Li1  1  0.536  0.995  0.786  1.0
  Li  Li2  1  0.536  0.505  0.286  1.0
  Li  Li3  1  0.464  0.005  0.214  1.0
  Fe  Fe4  1  0.176  0.244  0.926  1.0
  Fe  Fe5  1  0.824  0.744  0.574  1.0
  Fe  Fe6  1  0.824  0.756  0.074  1.0
  Fe  Fe7  1  0.176  0.256  0.426  1.0
  N  N8  1  0.153  0.849  0.903  1.0
  N  N9  1  0.847  0.349  0.597  1.0
  N  N10  1  0.847  0.151  0.097  1.0
  N  N11  1  0.153  0.651  0.403  1.0
[/CIF]
.
The material described by LiFeN is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent N(1) atoms. Fe(1) is bonded in a distorted trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing NLi3Fe3 octahedra. The corner-sharing octahedral tilt angles are 54°. is represented by the CIF card [CIF]
data_LiFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.065
_cell_length_b   9.191
_cell_length_c   5.655
_cell_angle_alpha   89.994
_cell_angle_beta   122.821
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.874
_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
  Li  Li0  1  0.464  0.495  0.714  1.0
  Li  Li1  1  0.536  0.995  0.786  1.0
  Li  Li2  1  0.536  0.505  0.286  1.0
  Li  Li3  1  0.464  0.005  0.214  1.0
  Fe  Fe4  1  0.176  0.244  0.926  1.0
  Fe  Fe5  1  0.824  0.744  0.574  1.0
  Fe  Fe6  1  0.824  0.756  0.074  1.0
  Fe  Fe7  1  0.176  0.256  0.426  1.0
  N  N8  1  0.153  0.849  0.903  1.0
  N  N9  1  0.847  0.349  0.597  1.0
  N  N10  1  0.847  0.151  0.097  1.0
  N  N11  1  0.153  0.651  0.403  1.0
[/CIF]
.