The structure described by Fe2Si crystallizes in the trigonal P-3m1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2) and five equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(3), six equivalent Fe(1), and six equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2) and six equivalent Si(1) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2), three equivalent Fe(3), and five equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   3.900
_cell_length_c   4.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.455
_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  0.333  0.667  0.679  1.0
  Fe  Fe1  1  0.667  0.333  0.321  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Si  Si4  1  0.667  0.333  0.819  1.0
  Si  Si5  1  0.333  0.667  0.181  1.0
[/CIF]
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The structure described by Fe2Si crystallizes in the trigonal P-3m1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2) and five equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent Fe(3), six equivalent Fe(1), and six equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2) and six equivalent Si(1) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(2), three equivalent Fe(3), and five equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.900
_cell_length_b   3.900
_cell_length_c   4.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.455
_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  0.333  0.667  0.679  1.0
  Fe  Fe1  1  0.667  0.333  0.321  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Si  Si4  1  0.667  0.333  0.819  1.0
  Si  Si5  1  0.333  0.667  0.181  1.0
[/CIF]
.