The material structure described by Fe2C is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded in a distorted trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Fe(1) atoms to form a mixture of corner and edge-sharing CFe6 octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.824
_cell_length_b   4.282
_cell_length_c   4.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.982
_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  0.500  0.250  0.156  1.0
  Fe  Fe1  1  0.500  0.750  0.844  1.0
  Fe  Fe2  1  0.000  0.250  0.656  1.0
  Fe  Fe3  1  0.000  0.750  0.344  1.0
  C  C4  1  0.500  0.500  0.500  1.0
  C  C5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Fe2C is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded in a distorted trigonal planar geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Fe(1) atoms to form a mixture of corner and edge-sharing CFe6 octahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.824
_cell_length_b   4.282
_cell_length_c   4.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   56.982
_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  0.500  0.250  0.156  1.0
  Fe  Fe1  1  0.500  0.750  0.844  1.0
  Fe  Fe2  1  0.000  0.250  0.656  1.0
  Fe  Fe3  1  0.000  0.750  0.344  1.0
  C  C4  1  0.500  0.500  0.500  1.0
  C  C5  1  0.000  0.000  0.000  1.0
[/CIF]
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