The crystal structure described by Li(FeN)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing FeN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.962
_cell_length_b   5.968
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   87.297
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.966
_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  0.368  0.464  0.861  1.0
  Li  Li1  1  0.632  0.964  0.639  1.0
  Li  Li2  1  0.632  0.536  0.139  1.0
  Li  Li3  1  0.368  0.036  0.361  1.0
  Fe  Fe4  1  0.101  0.163  0.765  1.0
  Fe  Fe5  1  0.899  0.663  0.735  1.0
  Fe  Fe6  1  0.899  0.837  0.235  1.0
  Fe  Fe7  1  0.101  0.337  0.265  1.0
  Fe  Fe8  1  0.682  0.367  0.524  1.0
  Fe  Fe9  1  0.318  0.867  0.976  1.0
  Fe  Fe10  1  0.318  0.633  0.476  1.0
  Fe  Fe11  1  0.682  0.133  0.024  1.0
  N  N12  1  0.199  0.854  0.685  1.0
  N  N13  1  0.801  0.354  0.815  1.0
  N  N14  1  0.801  0.146  0.315  1.0
  N  N15  1  0.199  0.646  0.185  1.0
  N  N16  1  0.299  0.321  0.536  1.0
  N  N17  1  0.701  0.821  0.964  1.0
  N  N18  1  0.701  0.679  0.464  1.0
  N  N19  1  0.299  0.179  0.036  1.0
[/CIF]
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The crystal structure described by Li(FeN)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing FeN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.962
_cell_length_b   5.968
_cell_length_c   5.949
_cell_angle_alpha   90.000
_cell_angle_beta   87.297
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.966
_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  0.368  0.464  0.861  1.0
  Li  Li1  1  0.632  0.964  0.639  1.0
  Li  Li2  1  0.632  0.536  0.139  1.0
  Li  Li3  1  0.368  0.036  0.361  1.0
  Fe  Fe4  1  0.101  0.163  0.765  1.0
  Fe  Fe5  1  0.899  0.663  0.735  1.0
  Fe  Fe6  1  0.899  0.837  0.235  1.0
  Fe  Fe7  1  0.101  0.337  0.265  1.0
  Fe  Fe8  1  0.682  0.367  0.524  1.0
  Fe  Fe9  1  0.318  0.867  0.976  1.0
  Fe  Fe10  1  0.318  0.633  0.476  1.0
  Fe  Fe11  1  0.682  0.133  0.024  1.0
  N  N12  1  0.199  0.854  0.685  1.0
  N  N13  1  0.801  0.354  0.815  1.0
  N  N14  1  0.801  0.146  0.315  1.0
  N  N15  1  0.199  0.646  0.185  1.0
  N  N16  1  0.299  0.321  0.536  1.0
  N  N17  1  0.701  0.821  0.964  1.0
  N  N18  1  0.701  0.679  0.464  1.0
  N  N19  1  0.299  0.179  0.036  1.0
[/CIF]
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