The crystal structure described by Zr3Au2Al crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Al(1) atoms. Al(1) is bonded to six equivalent Au(1) atoms to form distorted edge-sharing AlAu6 cuboctahedra. is represented by the CIF file [CIF]
data_Zr3AlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.799
_cell_length_b   8.799
_cell_length_c   8.799
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   481.735
_cell_formula_units_Z   4
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  0.803  0.803  0.197  1.0
  Zr  Zr1  1  0.197  0.197  0.803  1.0
  Zr  Zr2  1  0.803  0.197  0.803  1.0
  Zr  Zr3  1  0.197  0.803  0.197  1.0
  Zr  Zr4  1  0.197  0.803  0.803  1.0
  Zr  Zr5  1  0.803  0.197  0.197  1.0
  Zr  Zr6  1  0.447  0.447  0.053  1.0
  Zr  Zr7  1  0.053  0.053  0.447  1.0
  Zr  Zr8  1  0.447  0.053  0.447  1.0
  Zr  Zr9  1  0.053  0.447  0.053  1.0
  Zr  Zr10  1  0.053  0.447  0.447  1.0
  Zr  Zr11  1  0.447  0.053  0.053  1.0
  Al  Al12  1  0.125  0.625  0.625  1.0
  Al  Al13  1  0.625  0.125  0.625  1.0
  Al  Al14  1  0.625  0.625  0.125  1.0
  Al  Al15  1  0.625  0.625  0.625  1.0
  Au  Au16  1  0.761  0.413  0.413  1.0
  Au  Au17  1  0.413  0.761  0.413  1.0
  Au  Au18  1  0.413  0.413  0.761  1.0
  Au  Au19  1  0.413  0.413  0.413  1.0
  Au  Au20  1  0.489  0.837  0.837  1.0
  Au  Au21  1  0.837  0.489  0.837  1.0
  Au  Au22  1  0.837  0.837  0.489  1.0
  Au  Au23  1  0.837  0.837  0.837  1.0
[/CIF]
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The crystal structure described by Zr3Au2Al crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) atoms. Au(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Al(1) atoms. Al(1) is bonded to six equivalent Au(1) atoms to form distorted edge-sharing AlAu6 cuboctahedra. is represented by the CIF file [CIF]
data_Zr3AlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.799
_cell_length_b   8.799
_cell_length_c   8.799
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   481.735
_cell_formula_units_Z   4
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  0.803  0.803  0.197  1.0
  Zr  Zr1  1  0.197  0.197  0.803  1.0
  Zr  Zr2  1  0.803  0.197  0.803  1.0
  Zr  Zr3  1  0.197  0.803  0.197  1.0
  Zr  Zr4  1  0.197  0.803  0.803  1.0
  Zr  Zr5  1  0.803  0.197  0.197  1.0
  Zr  Zr6  1  0.447  0.447  0.053  1.0
  Zr  Zr7  1  0.053  0.053  0.447  1.0
  Zr  Zr8  1  0.447  0.053  0.447  1.0
  Zr  Zr9  1  0.053  0.447  0.053  1.0
  Zr  Zr10  1  0.053  0.447  0.447  1.0
  Zr  Zr11  1  0.447  0.053  0.053  1.0
  Al  Al12  1  0.125  0.625  0.625  1.0
  Al  Al13  1  0.625  0.125  0.625  1.0
  Al  Al14  1  0.625  0.625  0.125  1.0
  Al  Al15  1  0.625  0.625  0.625  1.0
  Au  Au16  1  0.761  0.413  0.413  1.0
  Au  Au17  1  0.413  0.761  0.413  1.0
  Au  Au18  1  0.413  0.413  0.761  1.0
  Au  Au19  1  0.413  0.413  0.413  1.0
  Au  Au20  1  0.489  0.837  0.837  1.0
  Au  Au21  1  0.837  0.489  0.837  1.0
  Au  Au22  1  0.837  0.837  0.489  1.0
  Au  Au23  1  0.837  0.837  0.837  1.0
[/CIF]
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