The compound described by Fe5C2 crystallizes in the monoclinic P2/c space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the third Fe site, Fe(3) is bonded in a bent 150 degrees geometry to one C(1) and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing FeC4 tetrahedra. In the fifth Fe site, Fe(5) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. In the sixth Fe site, Fe(6) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing FeC4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(6), and two equivalent Fe(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.523
_cell_length_b   5.004
_cell_length_c   6.211
_cell_angle_alpha   82.959
_cell_angle_beta   68.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.787
_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
  C  C0  1  0.427  0.581  0.273  1.0
  C  C1  1  0.200  0.919  0.727  1.0
  C  C2  1  0.800  0.081  0.273  1.0
  C  C3  1  0.573  0.419  0.727  1.0
  Fe  Fe4  1  0.181  0.916  0.305  1.0
  Fe  Fe5  1  0.819  0.084  0.695  1.0
  Fe  Fe6  1  0.630  0.312  0.073  1.0
  Fe  Fe7  1  0.797  0.812  0.073  1.0
  Fe  Fe8  1  0.203  0.188  0.927  1.0
  Fe  Fe9  1  0.014  0.416  0.305  1.0
  Fe  Fe10  1  0.569  0.750  0.500  1.0
  Fe  Fe11  1  0.986  0.584  0.695  1.0
  Fe  Fe12  1  0.370  0.688  0.927  1.0
  Fe  Fe13  1  0.431  0.250  0.500  1.0
[/CIF]
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The compound described by Fe5C2 crystallizes in the monoclinic P2/c space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 150 degrees geometry to one C(1) and one C(2) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. In the third Fe site, Fe(3) is bonded in a bent 150 degrees geometry to one C(1) and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing FeC4 tetrahedra. In the fifth Fe site, Fe(5) is bonded in a 3-coordinate geometry to one C(2) and two equivalent C(1) atoms. In the sixth Fe site, Fe(6) is bonded to two equivalent C(1) and two equivalent C(2) atoms to form distorted edge-sharing FeC4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(6), and two equivalent Fe(5) atoms. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.523
_cell_length_b   5.004
_cell_length_c   6.211
_cell_angle_alpha   82.959
_cell_angle_beta   68.648
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.787
_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
  C  C0  1  0.427  0.581  0.273  1.0
  C  C1  1  0.200  0.919  0.727  1.0
  C  C2  1  0.800  0.081  0.273  1.0
  C  C3  1  0.573  0.419  0.727  1.0
  Fe  Fe4  1  0.181  0.916  0.305  1.0
  Fe  Fe5  1  0.819  0.084  0.695  1.0
  Fe  Fe6  1  0.630  0.312  0.073  1.0
  Fe  Fe7  1  0.797  0.812  0.073  1.0
  Fe  Fe8  1  0.203  0.188  0.927  1.0
  Fe  Fe9  1  0.014  0.416  0.305  1.0
  Fe  Fe10  1  0.569  0.750  0.500  1.0
  Fe  Fe11  1  0.986  0.584  0.695  1.0
  Fe  Fe12  1  0.370  0.688  0.927  1.0
  Fe  Fe13  1  0.431  0.250  0.500  1.0
[/CIF]
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