The material described by Fe4Si crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Fe(2) and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Si(1) is bonded to eight equivalent Fe(1) and four equivalent Si(1) atoms to form a mixture of distorted corner and face-sharing SiFe8Si4 cuboctahedra. is represented by the CIF card [CIF]
data_Fe4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.681
_cell_length_b   9.588
_cell_length_c   2.535
_cell_angle_alpha   84.532
_cell_angle_beta   80.357
_cell_angle_gamma   15.111
_symmetry_Int_Tables_number   1
_cell_volume   58.423
_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  0.406  0.406  0.594  1.0
  Fe  Fe1  1  0.802  0.802  0.198  1.0
  Fe  Fe2  1  0.198  0.198  0.802  1.0
  Fe  Fe3  1  0.594  0.594  0.406  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Fe4Si crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Fe(2) and four equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Si(1) is bonded to eight equivalent Fe(1) and four equivalent Si(1) atoms to form a mixture of distorted corner and face-sharing SiFe8Si4 cuboctahedra. is represented by the CIF card [CIF]
data_Fe4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.681
_cell_length_b   9.588
_cell_length_c   2.535
_cell_angle_alpha   84.532
_cell_angle_beta   80.357
_cell_angle_gamma   15.111
_symmetry_Int_Tables_number   1
_cell_volume   58.423
_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  0.406  0.406  0.594  1.0
  Fe  Fe1  1  0.802  0.802  0.198  1.0
  Fe  Fe2  1  0.198  0.198  0.802  1.0
  Fe  Fe3  1  0.594  0.594  0.406  1.0
  Si  Si4  1  0.000  0.000  0.000  1.0
[/CIF]
.