The structure described by Fe4Al crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Fe(2) and two equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_AlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.528
_cell_length_b   2.528
_cell_length_c   9.930
_cell_angle_alpha   84.913
_cell_angle_beta   84.913
_cell_angle_gamma   107.659
_symmetry_Int_Tables_number   1
_cell_volume   59.775
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.399  0.399  0.201  1.0
  Fe  Fe2  1  0.800  0.800  0.400  1.0
  Fe  Fe3  1  0.200  0.200  0.600  1.0
  Fe  Fe4  1  0.601  0.601  0.799  1.0
[/CIF]
.
The structure described by Fe4Al crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Fe(2) and two equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Al(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_AlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.528
_cell_length_b   2.528
_cell_length_c   9.930
_cell_angle_alpha   84.913
_cell_angle_beta   84.913
_cell_angle_gamma   107.659
_symmetry_Int_Tables_number   1
_cell_volume   59.775
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.399  0.399  0.201  1.0
  Fe  Fe2  1  0.800  0.800  0.400  1.0
  Fe  Fe3  1  0.200  0.200  0.600  1.0
  Fe  Fe4  1  0.601  0.601  0.799  1.0
[/CIF]
.