The material structure described by Yb5Au3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Au(2) and three equivalent Au(1) atoms to form distorted YbAu5 trigonal bipyramids that share corners with four equivalent Yb(2)Au6 octahedra, corners with twelve equivalent Yb(1)Au5 trigonal bipyramids, edges with seven equivalent Yb(1)Au5 trigonal bipyramids, faces with two equivalent Yb(2)Au6 octahedra, and  a faceface with one Yb(1)Au5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the second Yb site, Yb(2) is bonded to two equivalent Au(2) and four equivalent Au(1) atoms to form distorted YbAu6 octahedra that share corners with six equivalent Yb(2)Au6 octahedra, corners with sixteen equivalent Yb(1)Au5 trigonal bipyramids, and faces with eight equivalent Yb(1)Au5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-50°. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to two equivalent Yb(2) and six equivalent Yb(1) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Yb5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.653
_cell_length_c   8.844
_cell_angle_alpha   115.638
_cell_angle_beta   115.638
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.731
_cell_formula_units_Z   2
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
  Yb  Yb0  1  0.025  0.525  0.713  1.0
  Yb  Yb1  1  0.475  0.312  0.287  1.0
  Yb  Yb2  1  0.975  0.475  0.287  1.0
  Yb  Yb3  1  0.188  0.025  0.713  1.0
  Yb  Yb4  1  0.688  0.188  0.713  1.0
  Yb  Yb5  1  0.525  0.688  0.713  1.0
  Yb  Yb6  1  0.500  0.500  0.000  1.0
  Yb  Yb7  1  0.812  0.975  0.287  1.0
  Yb  Yb8  1  0.312  0.812  0.287  1.0
  Yb  Yb9  1  0.000  0.000  0.000  1.0
  Au  Au10  1  0.867  0.633  0.000  1.0
  Au  Au11  1  0.250  0.250  0.500  1.0
  Au  Au12  1  0.133  0.367  0.000  1.0
  Au  Au13  1  0.633  0.133  0.000  1.0
  Au  Au14  1  0.367  0.867  0.000  1.0
  Au  Au15  1  0.750  0.750  0.500  1.0
[/CIF]
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The material structure described by Yb5Au3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Au(2) and three equivalent Au(1) atoms to form distorted YbAu5 trigonal bipyramids that share corners with four equivalent Yb(2)Au6 octahedra, corners with twelve equivalent Yb(1)Au5 trigonal bipyramids, edges with seven equivalent Yb(1)Au5 trigonal bipyramids, faces with two equivalent Yb(2)Au6 octahedra, and  a faceface with one Yb(1)Au5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. In the second Yb site, Yb(2) is bonded to two equivalent Au(2) and four equivalent Au(1) atoms to form distorted YbAu6 octahedra that share corners with six equivalent Yb(2)Au6 octahedra, corners with sixteen equivalent Yb(1)Au5 trigonal bipyramids, and faces with eight equivalent Yb(1)Au5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-50°. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to two equivalent Yb(2) and six equivalent Yb(1) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Yb5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.653
_cell_length_b   7.653
_cell_length_c   8.844
_cell_angle_alpha   115.638
_cell_angle_beta   115.638
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.731
_cell_formula_units_Z   2
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
  Yb  Yb0  1  0.025  0.525  0.713  1.0
  Yb  Yb1  1  0.475  0.312  0.287  1.0
  Yb  Yb2  1  0.975  0.475  0.287  1.0
  Yb  Yb3  1  0.188  0.025  0.713  1.0
  Yb  Yb4  1  0.688  0.188  0.713  1.0
  Yb  Yb5  1  0.525  0.688  0.713  1.0
  Yb  Yb6  1  0.500  0.500  0.000  1.0
  Yb  Yb7  1  0.812  0.975  0.287  1.0
  Yb  Yb8  1  0.312  0.812  0.287  1.0
  Yb  Yb9  1  0.000  0.000  0.000  1.0
  Au  Au10  1  0.867  0.633  0.000  1.0
  Au  Au11  1  0.250  0.250  0.500  1.0
  Au  Au12  1  0.133  0.367  0.000  1.0
  Au  Au13  1  0.633  0.133  0.000  1.0
  Au  Au14  1  0.367  0.867  0.000  1.0
  Au  Au15  1  0.750  0.750  0.500  1.0
[/CIF]
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