The material structure described by ZrFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Zr(1) and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeZr6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   5.017
_cell_length_c   5.017
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   89.289
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.625  0.125  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.125  0.625  0.625  1.0
[/CIF]
.
The material structure described by ZrFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Zr(1) and six equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing FeZr6Fe6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.017
_cell_length_b   5.017
_cell_length_c   5.017
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   89.289
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.625  0.125  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.125  0.625  0.625  1.0
[/CIF]
.