The compound described by Fe5Si3 crystallizes in the cubic Ia-3d space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted linear geometry to four equivalent Fe(2) and six equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing FeFe6Si6 cuboctahedra. Si(1) is bonded in a 14-coordinate geometry to four equivalent Fe(2), six equivalent Fe(1), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Fe5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   7.703
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   351.858
_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
  Fe  Fe0  1  0.125  0.375  0.750  1.0
  Fe  Fe1  1  0.375  0.125  0.250  1.0
  Fe  Fe2  1  0.375  0.750  0.125  1.0
  Fe  Fe3  1  0.125  0.250  0.375  1.0
  Fe  Fe4  1  0.750  0.125  0.375  1.0
  Fe  Fe5  1  0.250  0.375  0.125  1.0
  Fe  Fe6  1  0.875  0.625  0.250  1.0
  Fe  Fe7  1  0.625  0.875  0.750  1.0
  Fe  Fe8  1  0.625  0.250  0.875  1.0
  Fe  Fe9  1  0.875  0.750  0.625  1.0
  Fe  Fe10  1  0.250  0.875  0.625  1.0
  Fe  Fe11  1  0.750  0.625  0.875  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
  Fe  Fe13  1  0.000  0.000  0.500  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.500  0.500  0.500  1.0
  Fe  Fe16  1  0.500  0.500  0.000  1.0
  Fe  Fe17  1  0.500  0.000  0.500  1.0
  Fe  Fe18  1  0.000  0.500  0.500  1.0
  Fe  Fe19  1  0.000  0.000  0.000  1.0
  Si  Si20  1  0.375  0.625  0.750  1.0
  Si  Si21  1  0.125  0.875  0.250  1.0
  Si  Si22  1  0.625  0.750  0.375  1.0
  Si  Si23  1  0.875  0.250  0.125  1.0
  Si  Si24  1  0.750  0.375  0.625  1.0
  Si  Si25  1  0.250  0.125  0.875  1.0
  Si  Si26  1  0.625  0.375  0.250  1.0
  Si  Si27  1  0.875  0.125  0.750  1.0
  Si  Si28  1  0.375  0.250  0.625  1.0
  Si  Si29  1  0.125  0.750  0.875  1.0
  Si  Si30  1  0.250  0.625  0.375  1.0
  Si  Si31  1  0.750  0.875  0.125  1.0
[/CIF]
.
The compound described by Fe5Si3 crystallizes in the cubic Ia-3d space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted linear geometry to four equivalent Fe(2) and six equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing FeFe6Si6 cuboctahedra. Si(1) is bonded in a 14-coordinate geometry to four equivalent Fe(2), six equivalent Fe(1), and four equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Fe5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   7.703
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   351.858
_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
  Fe  Fe0  1  0.125  0.375  0.750  1.0
  Fe  Fe1  1  0.375  0.125  0.250  1.0
  Fe  Fe2  1  0.375  0.750  0.125  1.0
  Fe  Fe3  1  0.125  0.250  0.375  1.0
  Fe  Fe4  1  0.750  0.125  0.375  1.0
  Fe  Fe5  1  0.250  0.375  0.125  1.0
  Fe  Fe6  1  0.875  0.625  0.250  1.0
  Fe  Fe7  1  0.625  0.875  0.750  1.0
  Fe  Fe8  1  0.625  0.250  0.875  1.0
  Fe  Fe9  1  0.875  0.750  0.625  1.0
  Fe  Fe10  1  0.250  0.875  0.625  1.0
  Fe  Fe11  1  0.750  0.625  0.875  1.0
  Fe  Fe12  1  0.000  0.500  0.000  1.0
  Fe  Fe13  1  0.000  0.000  0.500  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.500  0.500  0.500  1.0
  Fe  Fe16  1  0.500  0.500  0.000  1.0
  Fe  Fe17  1  0.500  0.000  0.500  1.0
  Fe  Fe18  1  0.000  0.500  0.500  1.0
  Fe  Fe19  1  0.000  0.000  0.000  1.0
  Si  Si20  1  0.375  0.625  0.750  1.0
  Si  Si21  1  0.125  0.875  0.250  1.0
  Si  Si22  1  0.625  0.750  0.375  1.0
  Si  Si23  1  0.875  0.250  0.125  1.0
  Si  Si24  1  0.750  0.375  0.625  1.0
  Si  Si25  1  0.250  0.125  0.875  1.0
  Si  Si26  1  0.625  0.375  0.250  1.0
  Si  Si27  1  0.875  0.125  0.750  1.0
  Si  Si28  1  0.375  0.250  0.625  1.0
  Si  Si29  1  0.125  0.750  0.875  1.0
  Si  Si30  1  0.250  0.625  0.375  1.0
  Si  Si31  1  0.750  0.875  0.125  1.0
[/CIF]
.