The crystal structure described by ZrFe4Si 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 Si(1) atoms. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Si(1) atoms to form a mixture of edge, corner, and face-sharing FeZr3Fe6Si3 cuboctahedra. Si(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFe4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.742
_cell_length_b   4.742
_cell_length_c   4.742
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.401
_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  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.627  0.627  0.120  1.0
  Fe  Fe2  1  0.627  0.120  0.627  1.0
  Fe  Fe3  1  0.120  0.627  0.627  1.0
  Fe  Fe4  1  0.627  0.627  0.627  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by ZrFe4Si 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 Si(1) atoms. Fe(1) is bonded to three equivalent Zr(1), six equivalent Fe(1), and three equivalent Si(1) atoms to form a mixture of edge, corner, and face-sharing FeZr3Fe6Si3 cuboctahedra. Si(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFe4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.742
_cell_length_b   4.742
_cell_length_c   4.742
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.401
_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  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.627  0.627  0.120  1.0
  Fe  Fe2  1  0.627  0.120  0.627  1.0
  Fe  Fe3  1  0.120  0.627  0.627  1.0
  Fe  Fe4  1  0.627  0.627  0.627  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
[/CIF]
.