The structure described by AuZn3 crystallizes in the cubic Pm-3n space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to twelve equivalent Zn(1) atoms to form a mixture of distorted edge and face-sharing AuZn12 cuboctahedra. In the second Au site, Au(2) is bonded to twelve equivalent Zn(1) atoms to form face-sharing AuZn12 cuboctahedra. Zn(1) is bonded in a 4-coordinate geometry to one Au(2) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   7.861
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.781
_cell_formula_units_Z   8
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
  Zn  Zn0  1  0.500  0.199  0.337  1.0
  Zn  Zn1  1  0.500  0.801  0.663  1.0
  Zn  Zn2  1  0.199  0.337  0.500  1.0
  Zn  Zn3  1  0.801  0.337  0.500  1.0
  Zn  Zn4  1  0.337  0.500  0.199  1.0
  Zn  Zn5  1  0.663  0.500  0.199  1.0
  Zn  Zn6  1  0.000  0.837  0.301  1.0
  Zn  Zn7  1  0.000  0.163  0.699  1.0
  Zn  Zn8  1  0.000  0.163  0.301  1.0
  Zn  Zn9  1  0.500  0.199  0.663  1.0
  Zn  Zn10  1  0.500  0.801  0.337  1.0
  Zn  Zn11  1  0.801  0.663  0.500  1.0
  Zn  Zn12  1  0.199  0.663  0.500  1.0
  Zn  Zn13  1  0.337  0.500  0.801  1.0
  Zn  Zn14  1  0.663  0.500  0.801  1.0
  Zn  Zn15  1  0.301  0.000  0.163  1.0
  Zn  Zn16  1  0.163  0.301  0.000  1.0
  Zn  Zn17  1  0.837  0.699  0.000  1.0
  Zn  Zn18  1  0.301  0.000  0.837  1.0
  Zn  Zn19  1  0.837  0.301  0.000  1.0
  Zn  Zn20  1  0.699  0.000  0.163  1.0
  Zn  Zn21  1  0.699  0.000  0.837  1.0
  Zn  Zn22  1  0.163  0.699  0.000  1.0
  Zn  Zn23  1  0.000  0.837  0.699  1.0
  Au  Au24  1  0.500  0.250  0.000  1.0
  Au  Au25  1  0.500  0.750  0.000  1.0
  Au  Au26  1  0.000  0.500  0.750  1.0
  Au  Au27  1  0.000  0.500  0.250  1.0
  Au  Au28  1  0.750  0.000  0.500  1.0
  Au  Au29  1  0.250  0.000  0.500  1.0
  Au  Au30  1  0.500  0.500  0.500  1.0
  Au  Au31  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by AuZn3 crystallizes in the cubic Pm-3n space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to twelve equivalent Zn(1) atoms to form a mixture of distorted edge and face-sharing AuZn12 cuboctahedra. In the second Au site, Au(2) is bonded to twelve equivalent Zn(1) atoms to form face-sharing AuZn12 cuboctahedra. Zn(1) is bonded in a 4-coordinate geometry to one Au(2) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.861
_cell_length_b   7.861
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.781
_cell_formula_units_Z   8
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
  Zn  Zn0  1  0.500  0.199  0.337  1.0
  Zn  Zn1  1  0.500  0.801  0.663  1.0
  Zn  Zn2  1  0.199  0.337  0.500  1.0
  Zn  Zn3  1  0.801  0.337  0.500  1.0
  Zn  Zn4  1  0.337  0.500  0.199  1.0
  Zn  Zn5  1  0.663  0.500  0.199  1.0
  Zn  Zn6  1  0.000  0.837  0.301  1.0
  Zn  Zn7  1  0.000  0.163  0.699  1.0
  Zn  Zn8  1  0.000  0.163  0.301  1.0
  Zn  Zn9  1  0.500  0.199  0.663  1.0
  Zn  Zn10  1  0.500  0.801  0.337  1.0
  Zn  Zn11  1  0.801  0.663  0.500  1.0
  Zn  Zn12  1  0.199  0.663  0.500  1.0
  Zn  Zn13  1  0.337  0.500  0.801  1.0
  Zn  Zn14  1  0.663  0.500  0.801  1.0
  Zn  Zn15  1  0.301  0.000  0.163  1.0
  Zn  Zn16  1  0.163  0.301  0.000  1.0
  Zn  Zn17  1  0.837  0.699  0.000  1.0
  Zn  Zn18  1  0.301  0.000  0.837  1.0
  Zn  Zn19  1  0.837  0.301  0.000  1.0
  Zn  Zn20  1  0.699  0.000  0.163  1.0
  Zn  Zn21  1  0.699  0.000  0.837  1.0
  Zn  Zn22  1  0.163  0.699  0.000  1.0
  Zn  Zn23  1  0.000  0.837  0.699  1.0
  Au  Au24  1  0.500  0.250  0.000  1.0
  Au  Au25  1  0.500  0.750  0.000  1.0
  Au  Au26  1  0.000  0.500  0.750  1.0
  Au  Au27  1  0.000  0.500  0.250  1.0
  Au  Au28  1  0.750  0.000  0.500  1.0
  Au  Au29  1  0.250  0.000  0.500  1.0
  Au  Au30  1  0.500  0.500  0.500  1.0
  Au  Au31  1  0.000  0.000  0.000  1.0
[/CIF]
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