The structure described by Al2Fe3Si4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Al(1), two equivalent Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Al(1), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. Al(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Fe(2), three equivalent Fe(1), two equivalent Al(1), one Si(3), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to one Fe(2), four equivalent Fe(1), four equivalent Al(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Al2Fe3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   6.374
_cell_length_c   10.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.730
_symmetry_Int_Tables_number   1
_cell_volume   224.697
_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
  Al  Al0  1  0.942  0.058  0.891  1.0
  Al  Al1  1  0.058  0.942  0.109  1.0
  Al  Al2  1  0.942  0.058  0.609  1.0
  Al  Al3  1  0.058  0.942  0.391  1.0
  Fe  Fe4  1  0.851  0.149  0.375  1.0
  Fe  Fe5  1  0.149  0.851  0.625  1.0
  Fe  Fe6  1  0.851  0.149  0.125  1.0
  Fe  Fe7  1  0.149  0.851  0.875  1.0
  Fe  Fe8  1  0.648  0.352  0.250  1.0
  Fe  Fe9  1  0.352  0.648  0.750  1.0
  Si  Si10  1  0.681  0.319  0.486  1.0
  Si  Si11  1  0.319  0.681  0.514  1.0
  Si  Si12  1  0.681  0.319  0.014  1.0
  Si  Si13  1  0.319  0.681  0.986  1.0
  Si  Si14  1  0.455  0.545  0.250  1.0
  Si  Si15  1  0.545  0.455  0.750  1.0
  Si  Si16  1  0.260  0.740  0.250  1.0
  Si  Si17  1  0.740  0.260  0.750  1.0
[/CIF]
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The structure described by Al2Fe3Si4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Al(1), two equivalent Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Al(1), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. Al(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Fe(2), three equivalent Fe(1), two equivalent Al(1), one Si(3), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to one Fe(2), four equivalent Fe(1), four equivalent Al(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Al2Fe3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   6.374
_cell_length_c   10.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.730
_symmetry_Int_Tables_number   1
_cell_volume   224.697
_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
  Al  Al0  1  0.942  0.058  0.891  1.0
  Al  Al1  1  0.058  0.942  0.109  1.0
  Al  Al2  1  0.942  0.058  0.609  1.0
  Al  Al3  1  0.058  0.942  0.391  1.0
  Fe  Fe4  1  0.851  0.149  0.375  1.0
  Fe  Fe5  1  0.149  0.851  0.625  1.0
  Fe  Fe6  1  0.851  0.149  0.125  1.0
  Fe  Fe7  1  0.149  0.851  0.875  1.0
  Fe  Fe8  1  0.648  0.352  0.250  1.0
  Fe  Fe9  1  0.352  0.648  0.750  1.0
  Si  Si10  1  0.681  0.319  0.486  1.0
  Si  Si11  1  0.319  0.681  0.514  1.0
  Si  Si12  1  0.681  0.319  0.014  1.0
  Si  Si13  1  0.319  0.681  0.986  1.0
  Si  Si14  1  0.455  0.545  0.250  1.0
  Si  Si15  1  0.545  0.455  0.750  1.0
  Si  Si16  1  0.260  0.740  0.250  1.0
  Si  Si17  1  0.740  0.260  0.750  1.0
[/CIF]
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