The material structure described by Al9Fe2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a 9-coordinate geometry to one Al(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted linear geometry to two equivalent Fe(1) atoms. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. In the third Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Fe(1) atoms. In the fifth Al site, Al(5) is bonded in a 2-coordinate geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al9Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   6.308
_cell_length_c   8.680
_cell_angle_alpha   90.000
_cell_angle_beta   95.191
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.207
_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  0.000  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.584  0.453  0.232  1.0
  Al  Al3  1  0.416  0.953  0.268  1.0
  Al  Al4  1  0.416  0.547  0.768  1.0
  Al  Al5  1  0.584  0.047  0.732  1.0
  Al  Al6  1  0.921  0.801  0.273  1.0
  Al  Al7  1  0.079  0.301  0.227  1.0
  Al  Al8  1  0.079  0.199  0.727  1.0
  Al  Al9  1  0.921  0.699  0.773  1.0
  Al  Al10  1  0.610  0.687  0.504  1.0
  Al  Al11  1  0.390  0.187  0.996  1.0
  Al  Al12  1  0.390  0.313  0.496  1.0
  Al  Al13  1  0.610  0.813  0.004  1.0
  Al  Al14  1  0.780  0.118  0.454  1.0
  Al  Al15  1  0.220  0.618  0.046  1.0
  Al  Al16  1  0.220  0.882  0.546  1.0
  Al  Al17  1  0.780  0.382  0.954  1.0
  Fe  Fe18  1  0.736  0.118  0.165  1.0
  Fe  Fe19  1  0.264  0.618  0.335  1.0
  Fe  Fe20  1  0.264  0.882  0.835  1.0
  Fe  Fe21  1  0.736  0.382  0.665  1.0
[/CIF]
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The material structure described by Al9Fe2 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded in a 9-coordinate geometry to one Al(1), two equivalent Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted linear geometry to two equivalent Fe(1) atoms. In the second Al site, Al(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. In the third Al site, Al(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) atoms. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to two equivalent Fe(1) atoms. In the fifth Al site, Al(5) is bonded in a 2-coordinate geometry to two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al9Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   6.308
_cell_length_c   8.680
_cell_angle_alpha   90.000
_cell_angle_beta   95.191
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.207
_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  0.000  0.500  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.584  0.453  0.232  1.0
  Al  Al3  1  0.416  0.953  0.268  1.0
  Al  Al4  1  0.416  0.547  0.768  1.0
  Al  Al5  1  0.584  0.047  0.732  1.0
  Al  Al6  1  0.921  0.801  0.273  1.0
  Al  Al7  1  0.079  0.301  0.227  1.0
  Al  Al8  1  0.079  0.199  0.727  1.0
  Al  Al9  1  0.921  0.699  0.773  1.0
  Al  Al10  1  0.610  0.687  0.504  1.0
  Al  Al11  1  0.390  0.187  0.996  1.0
  Al  Al12  1  0.390  0.313  0.496  1.0
  Al  Al13  1  0.610  0.813  0.004  1.0
  Al  Al14  1  0.780  0.118  0.454  1.0
  Al  Al15  1  0.220  0.618  0.046  1.0
  Al  Al16  1  0.220  0.882  0.546  1.0
  Al  Al17  1  0.780  0.382  0.954  1.0
  Fe  Fe18  1  0.736  0.118  0.165  1.0
  Fe  Fe19  1  0.264  0.618  0.335  1.0
  Fe  Fe20  1  0.264  0.882  0.835  1.0
  Fe  Fe21  1  0.736  0.382  0.665  1.0
[/CIF]
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