The structure described by Fe2Al3Si crystallizes in the cubic Fd-3m space group. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 6-coordinate geometry to four equivalent Fe(1) and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Fe(1) and six equivalent Al(1) atoms to form face-sharing SiAl6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_Al3Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   7.599
_cell_length_c   7.599
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   310.239
_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
  Al  Al0  1  0.800  0.800  0.200  1.0
  Al  Al1  1  0.200  0.200  0.800  1.0
  Al  Al2  1  0.800  0.200  0.800  1.0
  Al  Al3  1  0.200  0.800  0.200  1.0
  Al  Al4  1  0.200  0.800  0.800  1.0
  Al  Al5  1  0.800  0.200  0.200  1.0
  Al  Al6  1  0.450  0.450  0.050  1.0
  Al  Al7  1  0.050  0.050  0.450  1.0
  Al  Al8  1  0.450  0.050  0.450  1.0
  Al  Al9  1  0.050  0.450  0.050  1.0
  Al  Al10  1  0.050  0.450  0.450  1.0
  Al  Al11  1  0.450  0.050  0.050  1.0
  Fe  Fe12  1  0.770  0.410  0.410  1.0
  Fe  Fe13  1  0.410  0.770  0.410  1.0
  Fe  Fe14  1  0.410  0.410  0.770  1.0
  Fe  Fe15  1  0.410  0.410  0.410  1.0
  Fe  Fe16  1  0.480  0.840  0.840  1.0
  Fe  Fe17  1  0.840  0.480  0.840  1.0
  Fe  Fe18  1  0.840  0.840  0.480  1.0
  Fe  Fe19  1  0.840  0.840  0.840  1.0
  Si  Si20  1  0.125  0.625  0.625  1.0
  Si  Si21  1  0.625  0.125  0.625  1.0
  Si  Si22  1  0.625  0.625  0.125  1.0
  Si  Si23  1  0.625  0.625  0.625  1.0
[/CIF]
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The structure described by Fe2Al3Si crystallizes in the cubic Fd-3m space group. Fe(1) is bonded in a 9-coordinate geometry to six equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 6-coordinate geometry to four equivalent Fe(1) and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Fe(1) and six equivalent Al(1) atoms to form face-sharing SiAl6Fe6 cuboctahedra. is represented by the CIF file [CIF]
data_Al3Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   7.599
_cell_length_c   7.599
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   310.239
_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
  Al  Al0  1  0.800  0.800  0.200  1.0
  Al  Al1  1  0.200  0.200  0.800  1.0
  Al  Al2  1  0.800  0.200  0.800  1.0
  Al  Al3  1  0.200  0.800  0.200  1.0
  Al  Al4  1  0.200  0.800  0.800  1.0
  Al  Al5  1  0.800  0.200  0.200  1.0
  Al  Al6  1  0.450  0.450  0.050  1.0
  Al  Al7  1  0.050  0.050  0.450  1.0
  Al  Al8  1  0.450  0.050  0.450  1.0
  Al  Al9  1  0.050  0.450  0.050  1.0
  Al  Al10  1  0.050  0.450  0.450  1.0
  Al  Al11  1  0.450  0.050  0.050  1.0
  Fe  Fe12  1  0.770  0.410  0.410  1.0
  Fe  Fe13  1  0.410  0.770  0.410  1.0
  Fe  Fe14  1  0.410  0.410  0.770  1.0
  Fe  Fe15  1  0.410  0.410  0.410  1.0
  Fe  Fe16  1  0.480  0.840  0.840  1.0
  Fe  Fe17  1  0.840  0.480  0.840  1.0
  Fe  Fe18  1  0.840  0.840  0.480  1.0
  Fe  Fe19  1  0.840  0.840  0.840  1.0
  Si  Si20  1  0.125  0.625  0.625  1.0
  Si  Si21  1  0.625  0.125  0.625  1.0
  Si  Si22  1  0.625  0.625  0.125  1.0
  Si  Si23  1  0.625  0.625  0.625  1.0
[/CIF]
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