The material structure described by Fe21Mo2C6 crystallizes in the cubic Fm-3m space group. Mo(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and two equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded to one Mo(1) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing FeMoC3 tetrahedra. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to twelve equivalent Fe(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe21(MoC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   7.420
_cell_length_c   7.420
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.869
_cell_formula_units_Z   1
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  0.339  0.000  0.661  1.0
  Fe  Fe1  1  0.000  0.339  0.661  1.0
  Fe  Fe2  1  0.151  0.616  0.616  1.0
  Fe  Fe3  1  0.661  0.000  0.000  1.0
  Fe  Fe4  1  0.616  0.151  0.616  1.0
  Fe  Fe5  1  0.661  0.339  0.000  1.0
  Fe  Fe6  1  0.000  0.661  0.339  1.0
  Fe  Fe7  1  0.000  0.339  0.000  1.0
  Fe  Fe8  1  0.339  0.661  0.000  1.0
  Fe  Fe9  1  0.000  0.000  0.339  1.0
  Fe  Fe10  1  0.661  0.000  0.339  1.0
  Fe  Fe11  1  0.000  0.661  0.000  1.0
  Fe  Fe12  1  0.384  0.384  0.849  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.339  0.000  0.000  1.0
  Fe  Fe15  1  0.384  0.849  0.384  1.0
  Fe  Fe16  1  0.616  0.616  0.151  1.0
  Fe  Fe17  1  0.384  0.384  0.384  1.0
  Fe  Fe18  1  0.000  0.000  0.661  1.0
  Fe  Fe19  1  0.616  0.616  0.616  1.0
  Fe  Fe20  1  0.849  0.384  0.384  1.0
  Mo  Mo21  1  0.250  0.250  0.250  1.0
  Mo  Mo22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.720  0.280  0.720  1.0
  C  C24  1  0.720  0.280  0.280  1.0
  C  C25  1  0.720  0.720  0.280  1.0
  C  C26  1  0.280  0.280  0.720  1.0
  C  C27  1  0.280  0.720  0.720  1.0
  C  C28  1  0.280  0.720  0.280  1.0
[/CIF]
.
The material structure described by Fe21Mo2C6 crystallizes in the cubic Fm-3m space group. Mo(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and two equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded to one Mo(1) and three equivalent C(1) atoms to form a mixture of distorted edge and corner-sharing FeMoC3 tetrahedra. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to twelve equivalent Fe(1) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Fe21(MoC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   7.420
_cell_length_c   7.420
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   288.869
_cell_formula_units_Z   1
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  0.339  0.000  0.661  1.0
  Fe  Fe1  1  0.000  0.339  0.661  1.0
  Fe  Fe2  1  0.151  0.616  0.616  1.0
  Fe  Fe3  1  0.661  0.000  0.000  1.0
  Fe  Fe4  1  0.616  0.151  0.616  1.0
  Fe  Fe5  1  0.661  0.339  0.000  1.0
  Fe  Fe6  1  0.000  0.661  0.339  1.0
  Fe  Fe7  1  0.000  0.339  0.000  1.0
  Fe  Fe8  1  0.339  0.661  0.000  1.0
  Fe  Fe9  1  0.000  0.000  0.339  1.0
  Fe  Fe10  1  0.661  0.000  0.339  1.0
  Fe  Fe11  1  0.000  0.661  0.000  1.0
  Fe  Fe12  1  0.384  0.384  0.849  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.339  0.000  0.000  1.0
  Fe  Fe15  1  0.384  0.849  0.384  1.0
  Fe  Fe16  1  0.616  0.616  0.151  1.0
  Fe  Fe17  1  0.384  0.384  0.384  1.0
  Fe  Fe18  1  0.000  0.000  0.661  1.0
  Fe  Fe19  1  0.616  0.616  0.616  1.0
  Fe  Fe20  1  0.849  0.384  0.384  1.0
  Mo  Mo21  1  0.250  0.250  0.250  1.0
  Mo  Mo22  1  0.750  0.750  0.750  1.0
  C  C23  1  0.720  0.280  0.720  1.0
  C  C24  1  0.720  0.280  0.280  1.0
  C  C25  1  0.720  0.720  0.280  1.0
  C  C26  1  0.280  0.280  0.720  1.0
  C  C27  1  0.280  0.720  0.720  1.0
  C  C28  1  0.280  0.720  0.280  1.0
[/CIF]
.