The material structure described by Fe4C crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an L-shaped geometry to two equivalent Fe(4) and two equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to three equivalent Fe(4) and three equivalent C(1) atoms. In the third Fe site, Fe(3) is bonded in an L-shaped geometry to three equivalent Fe(4) and two equivalent C(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), three equivalent Fe(3), four equivalent Fe(4), and one C(1) atom. C(1) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(1), two equivalent Fe(3), and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.653
_cell_length_b   6.008
_cell_length_c   6.348
_cell_angle_alpha   78.812
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.249
_cell_formula_units_Z   2
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  0.750  0.105  0.820  1.0
  Fe  Fe1  1  0.250  0.895  0.180  1.0
  Fe  Fe2  1  0.750  0.827  0.535  1.0
  Fe  Fe3  1  0.250  0.173  0.465  1.0
  Fe  Fe4  1  0.250  0.316  0.064  1.0
  Fe  Fe5  1  0.750  0.684  0.936  1.0
  Fe  Fe6  1  0.250  0.478  0.683  1.0
  Fe  Fe7  1  0.750  0.522  0.317  1.0
  C  C8  1  0.250  0.877  0.753  1.0
  C  C9  1  0.750  0.123  0.247  1.0
[/CIF]
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The material structure described by Fe4C crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an L-shaped geometry to two equivalent Fe(4) and two equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to three equivalent Fe(4) and three equivalent C(1) atoms. In the third Fe site, Fe(3) is bonded in an L-shaped geometry to three equivalent Fe(4) and two equivalent C(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 13-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), three equivalent Fe(3), four equivalent Fe(4), and one C(1) atom. C(1) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(1), two equivalent Fe(3), and three equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.653
_cell_length_b   6.008
_cell_length_c   6.348
_cell_angle_alpha   78.812
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.249
_cell_formula_units_Z   2
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  0.750  0.105  0.820  1.0
  Fe  Fe1  1  0.250  0.895  0.180  1.0
  Fe  Fe2  1  0.750  0.827  0.535  1.0
  Fe  Fe3  1  0.250  0.173  0.465  1.0
  Fe  Fe4  1  0.250  0.316  0.064  1.0
  Fe  Fe5  1  0.750  0.684  0.936  1.0
  Fe  Fe6  1  0.250  0.478  0.683  1.0
  Fe  Fe7  1  0.750  0.522  0.317  1.0
  C  C8  1  0.250  0.877  0.753  1.0
  C  C9  1  0.750  0.123  0.247  1.0
[/CIF]
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