The structure described by Al2Fe3Si3 is Magnesium tetraboride-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Al(1), one Al(2), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Al(2), three equivalent Al(1), one Si(1), and two equivalent Si(3) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Al(2), one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1), three equivalent Fe(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), three equivalent Fe(3), two equivalent Al(1), three equivalent Al(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), one Al(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Fe(3), two equivalent Fe(2), three equivalent Fe(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2(FeSi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.557
_cell_length_b   6.265
_cell_length_c   7.386
_cell_angle_alpha   101.831
_cell_angle_beta   106.772
_cell_angle_gamma   100.605
_symmetry_Int_Tables_number   1
_cell_volume   190.841
_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  0.413  0.675  0.050  1.0
  Al  Al1  1  0.949  0.355  0.728  1.0
  Al  Al2  1  0.051  0.645  0.272  1.0
  Al  Al3  1  0.587  0.325  0.950  1.0
  Fe  Fe4  1  0.635  0.972  0.767  1.0
  Fe  Fe5  1  0.365  0.028  0.233  1.0
  Fe  Fe6  1  0.865  0.682  0.943  1.0
  Fe  Fe7  1  0.135  0.318  0.057  1.0
  Fe  Fe8  1  0.961  0.708  0.586  1.0
  Fe  Fe9  1  0.039  0.292  0.414  1.0
  Si  Si10  1  0.542  0.413  0.348  1.0
  Si  Si11  1  0.275  0.042  0.532  1.0
  Si  Si12  1  0.458  0.587  0.652  1.0
  Si  Si13  1  0.820  0.023  0.112  1.0
  Si  Si14  1  0.180  0.977  0.888  1.0
  Si  Si15  1  0.725  0.958  0.468  1.0
[/CIF]
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The structure described by Al2Fe3Si3 is Magnesium tetraboride-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one Al(1), one Al(2), one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Al(2), three equivalent Al(1), one Si(1), and two equivalent Si(3) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Al(2), one Si(3), two equivalent Si(2), and three equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Fe(1), three equivalent Fe(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(2), three equivalent Fe(3), two equivalent Al(1), three equivalent Al(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), one Al(2), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Fe(3), two equivalent Fe(2), three equivalent Fe(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Al2(FeSi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.557
_cell_length_b   6.265
_cell_length_c   7.386
_cell_angle_alpha   101.831
_cell_angle_beta   106.772
_cell_angle_gamma   100.605
_symmetry_Int_Tables_number   1
_cell_volume   190.841
_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  0.413  0.675  0.050  1.0
  Al  Al1  1  0.949  0.355  0.728  1.0
  Al  Al2  1  0.051  0.645  0.272  1.0
  Al  Al3  1  0.587  0.325  0.950  1.0
  Fe  Fe4  1  0.635  0.972  0.767  1.0
  Fe  Fe5  1  0.365  0.028  0.233  1.0
  Fe  Fe6  1  0.865  0.682  0.943  1.0
  Fe  Fe7  1  0.135  0.318  0.057  1.0
  Fe  Fe8  1  0.961  0.708  0.586  1.0
  Fe  Fe9  1  0.039  0.292  0.414  1.0
  Si  Si10  1  0.542  0.413  0.348  1.0
  Si  Si11  1  0.275  0.042  0.532  1.0
  Si  Si12  1  0.458  0.587  0.652  1.0
  Si  Si13  1  0.820  0.023  0.112  1.0
  Si  Si14  1  0.180  0.977  0.888  1.0
  Si  Si15  1  0.725  0.958  0.468  1.0
[/CIF]
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