The crystal structure described by RuAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ru(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form RuAu12 cuboctahedra that share corners with four equivalent Ru(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Ru4Au8 cuboctahedra, edges with eight equivalent Ru(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Ru4Au8 cuboctahedra, faces with four equivalent Ru(1)Au12 cuboctahedra, faces with six equivalent Au(2)Ru4Au8 cuboctahedra, and faces with eight equivalent Au(1)Ru4Au8 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Ru(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted AuRu4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Ru4Au8 cuboctahedra, edges with eight equivalent Ru(1)Au12 cuboctahedra, edges with eight equivalent Au(1)Ru4Au8 cuboctahedra, edges with eight equivalent Au(2)Ru4Au8 cuboctahedra, faces with four equivalent Ru(1)Au12 cuboctahedra, faces with four equivalent Au(2)Ru4Au8 cuboctahedra, and faces with ten equivalent Au(1)Ru4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Ru(1) and eight equivalent Au(1) atoms to form AuRu4Au8 cuboctahedra that share corners with four equivalent Au(2)Ru4Au8 cuboctahedra, corners with eight equivalent Ru(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Ru4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Ru4Au8 cuboctahedra, faces with four equivalent Au(2)Ru4Au8 cuboctahedra, faces with six equivalent Ru(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Ru4Au8 cuboctahedra. is represented by the CIF file [CIF]
data_RuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   4.909
_cell_length_c   4.909
_cell_angle_alpha   129.659
_cell_angle_beta   129.659
_cell_angle_gamma   73.953
_symmetry_Int_Tables_number   1
_cell_volume   68.380
_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
  Ru  Ru0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by RuAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ru(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form RuAu12 cuboctahedra that share corners with four equivalent Ru(1)Au12 cuboctahedra, corners with eight equivalent Au(2)Ru4Au8 cuboctahedra, edges with eight equivalent Ru(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Ru4Au8 cuboctahedra, faces with four equivalent Ru(1)Au12 cuboctahedra, faces with six equivalent Au(2)Ru4Au8 cuboctahedra, and faces with eight equivalent Au(1)Ru4Au8 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Ru(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted AuRu4Au8 cuboctahedra that share corners with twelve equivalent Au(1)Ru4Au8 cuboctahedra, edges with eight equivalent Ru(1)Au12 cuboctahedra, edges with eight equivalent Au(1)Ru4Au8 cuboctahedra, edges with eight equivalent Au(2)Ru4Au8 cuboctahedra, faces with four equivalent Ru(1)Au12 cuboctahedra, faces with four equivalent Au(2)Ru4Au8 cuboctahedra, and faces with ten equivalent Au(1)Ru4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to four equivalent Ru(1) and eight equivalent Au(1) atoms to form AuRu4Au8 cuboctahedra that share corners with four equivalent Au(2)Ru4Au8 cuboctahedra, corners with eight equivalent Ru(1)Au12 cuboctahedra, edges with eight equivalent Au(2)Ru4Au8 cuboctahedra, edges with sixteen equivalent Au(1)Ru4Au8 cuboctahedra, faces with four equivalent Au(2)Ru4Au8 cuboctahedra, faces with six equivalent Ru(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Ru4Au8 cuboctahedra. is represented by the CIF file [CIF]
data_RuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.909
_cell_length_b   4.909
_cell_length_c   4.909
_cell_angle_alpha   129.659
_cell_angle_beta   129.659
_cell_angle_gamma   73.953
_symmetry_Int_Tables_number   1
_cell_volume   68.380
_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
  Ru  Ru0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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