The compound described by Al3FeSi2 crystallizes in the orthorhombic Pbcn space group. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), four equivalent Al(2), and four equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Al(2), and four equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), one Al(2), two equivalent Al(1), and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Al(1), four equivalent Al(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Al3FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.072
_cell_length_c   9.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.297
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.140  0.634  0.864  1.0
  Al  Al5  1  0.640  0.866  0.136  1.0
  Al  Al6  1  0.860  0.634  0.636  1.0
  Al  Al7  1  0.360  0.866  0.364  1.0
  Al  Al8  1  0.860  0.366  0.136  1.0
  Al  Al9  1  0.360  0.134  0.864  1.0
  Al  Al10  1  0.140  0.366  0.364  1.0
  Al  Al11  1  0.640  0.134  0.636  1.0
  Fe  Fe12  1  0.000  0.011  0.250  1.0
  Fe  Fe13  1  0.500  0.489  0.750  1.0
  Fe  Fe14  1  0.000  0.989  0.750  1.0
  Fe  Fe15  1  0.500  0.511  0.250  1.0
  Si  Si16  1  0.163  0.671  0.154  1.0
  Si  Si17  1  0.663  0.829  0.846  1.0
  Si  Si18  1  0.837  0.671  0.346  1.0
  Si  Si19  1  0.337  0.829  0.654  1.0
  Si  Si20  1  0.837  0.329  0.846  1.0
  Si  Si21  1  0.337  0.171  0.154  1.0
  Si  Si22  1  0.163  0.329  0.654  1.0
  Si  Si23  1  0.663  0.171  0.346  1.0
[/CIF]
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The compound described by Al3FeSi2 crystallizes in the orthorhombic Pbcn space group. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), four equivalent Al(2), and four equivalent Si(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Al(2), and four equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Fe(1), one Al(2), two equivalent Al(1), and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), two equivalent Al(1), four equivalent Al(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Al3FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.072
_cell_length_c   9.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.297
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Al  Al4  1  0.140  0.634  0.864  1.0
  Al  Al5  1  0.640  0.866  0.136  1.0
  Al  Al6  1  0.860  0.634  0.636  1.0
  Al  Al7  1  0.360  0.866  0.364  1.0
  Al  Al8  1  0.860  0.366  0.136  1.0
  Al  Al9  1  0.360  0.134  0.864  1.0
  Al  Al10  1  0.140  0.366  0.364  1.0
  Al  Al11  1  0.640  0.134  0.636  1.0
  Fe  Fe12  1  0.000  0.011  0.250  1.0
  Fe  Fe13  1  0.500  0.489  0.750  1.0
  Fe  Fe14  1  0.000  0.989  0.750  1.0
  Fe  Fe15  1  0.500  0.511  0.250  1.0
  Si  Si16  1  0.163  0.671  0.154  1.0
  Si  Si17  1  0.663  0.829  0.846  1.0
  Si  Si18  1  0.837  0.671  0.346  1.0
  Si  Si19  1  0.337  0.829  0.654  1.0
  Si  Si20  1  0.837  0.329  0.846  1.0
  Si  Si21  1  0.337  0.171  0.154  1.0
  Si  Si22  1  0.163  0.329  0.654  1.0
  Si  Si23  1  0.663  0.171  0.346  1.0
[/CIF]
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