The compound described by ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Fe(1) and four equivalent Al(1) atoms. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing FeZr3Al3Fe6 cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_ZrAlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.980
_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
  Zr  Zr0  1  1.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.750  0.750  1.0
  Fe  Fe2  1  0.376  0.376  0.376  1.0
  Fe  Fe3  1  0.376  0.873  0.376  1.0
  Fe  Fe4  1  0.873  0.376  0.376  1.0
  Fe  Fe5  1  0.376  0.376  0.873  1.0
[/CIF]
.
The compound described by ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Fe(1) and four equivalent Al(1) atoms. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Al(1) atoms to form a mixture of face, corner, and edge-sharing FeZr3Al3Fe6 cuboctahedra. Al(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_ZrAlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.980
_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
  Zr  Zr0  1  1.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.750  0.750  1.0
  Fe  Fe2  1  0.376  0.376  0.376  1.0
  Fe  Fe3  1  0.376  0.873  0.376  1.0
  Fe  Fe4  1  0.873  0.376  0.376  1.0
  Fe  Fe5  1  0.376  0.376  0.873  1.0
[/CIF]
.