The crystal structure described by HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Hf(1), three equivalent Zr(1), and six equivalent Fe(1) atoms to form a mixture of edge, face, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfZrFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.990
_cell_length_b   4.989
_cell_length_c   4.990
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   87.828
_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
  Hf  Hf0  1  0.500  0.750  0.750  1.0
  Zr  Zr1  1  0.000  0.000  1.000  1.0
  Fe  Fe2  1  0.750  0.375  0.874  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Fe  Fe4  1  0.250  0.874  0.375  1.0
  Fe  Fe5  1  0.750  0.375  0.375  1.0
[/CIF]
.
The crystal structure described by HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to three equivalent Hf(1), three equivalent Zr(1), and six equivalent Fe(1) atoms to form a mixture of edge, face, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfZrFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.990
_cell_length_b   4.989
_cell_length_c   4.990
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   87.828
_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
  Hf  Hf0  1  0.500  0.750  0.750  1.0
  Zr  Zr1  1  0.000  0.000  1.000  1.0
  Fe  Fe2  1  0.750  0.375  0.874  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Fe  Fe4  1  0.250  0.874  0.375  1.0
  Fe  Fe5  1  0.750  0.375  0.375  1.0
[/CIF]
.