The structure described by Fe3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Au(1) atoms to form distorted FeFe8Au4 cuboctahedra that share corners with twelve equivalent Fe(1)Fe8Au4 cuboctahedra, edges with eight equivalent Fe(1)Fe8Au4 cuboctahedra, edges with eight equivalent Au(1)Fe12 cuboctahedra, faces with four equivalent Au(1)Fe12 cuboctahedra, and faces with ten equivalent Fe(1)Fe8Au4 cuboctahedra. In the second Fe site, Fe(2) is bonded in a distorted square co-planar geometry to eight equivalent Fe(1) and four equivalent Au(1) atoms. Au(1) is bonded to four equivalent Fe(2) and eight equivalent Fe(1) atoms to form AuFe12 cuboctahedra that share corners with four equivalent Au(1)Fe12 cuboctahedra, edges with eight equivalent Au(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(1)Fe8Au4 cuboctahedra, faces with four equivalent Au(1)Fe12 cuboctahedra, and faces with eight equivalent Fe(1)Fe8Au4 cuboctahedra. is represented by the CIF card [CIF]
data_Fe3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.679
_cell_length_b   4.679
_cell_length_c   4.679
_cell_angle_alpha   132.720
_cell_angle_beta   132.720
_cell_angle_gamma   69.094
_symmetry_Int_Tables_number   1
_cell_volume   54.261
_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
  Fe  Fe0  1  0.750  0.250  0.500  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Fe3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Fe(1), four equivalent Fe(2), and four equivalent Au(1) atoms to form distorted FeFe8Au4 cuboctahedra that share corners with twelve equivalent Fe(1)Fe8Au4 cuboctahedra, edges with eight equivalent Fe(1)Fe8Au4 cuboctahedra, edges with eight equivalent Au(1)Fe12 cuboctahedra, faces with four equivalent Au(1)Fe12 cuboctahedra, and faces with ten equivalent Fe(1)Fe8Au4 cuboctahedra. In the second Fe site, Fe(2) is bonded in a distorted square co-planar geometry to eight equivalent Fe(1) and four equivalent Au(1) atoms. Au(1) is bonded to four equivalent Fe(2) and eight equivalent Fe(1) atoms to form AuFe12 cuboctahedra that share corners with four equivalent Au(1)Fe12 cuboctahedra, edges with eight equivalent Au(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(1)Fe8Au4 cuboctahedra, faces with four equivalent Au(1)Fe12 cuboctahedra, and faces with eight equivalent Fe(1)Fe8Au4 cuboctahedra. is represented by the CIF card [CIF]
data_Fe3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.679
_cell_length_b   4.679
_cell_length_c   4.679
_cell_angle_alpha   132.720
_cell_angle_beta   132.720
_cell_angle_gamma   69.094
_symmetry_Int_Tables_number   1
_cell_volume   54.261
_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
  Fe  Fe0  1  0.750  0.250  0.500  1.0
  Fe  Fe1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
.