The material described by YbAuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Au(1), two equivalent Au(3), three equivalent Au(2), one Sn(3), two equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Au(1), four equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms to form distorted face-sharing YbSn6Au6 cuboctahedra. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(1), three equivalent Au(2), one Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. In the fourth Yb site, Yb(4) is bonded to two equivalent Au(3), four equivalent Au(1), two equivalent Sn(1), and four equivalent Sn(3) atoms to form distorted face-sharing YbSn6Au6 cuboctahedra. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(3), two equivalent Yb(4), one Sn(3), and two equivalent Sn(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), and three equivalent Sn(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(1), two equivalent Yb(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(1), two equivalent Yb(2), one Au(3), two equivalent Au(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), one Au(3), and three equivalent Au(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(3), two equivalent Yb(4), one Au(1), and two equivalent Au(3) atoms. is represented by the CIF file [CIF]
data_YbSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.693
_cell_length_b   8.136
_cell_length_c   11.856
_cell_angle_alpha   110.089
_cell_angle_beta   101.424
_cell_angle_gamma   89.950
_symmetry_Int_Tables_number   1
_cell_volume   415.620
_cell_formula_units_Z   6
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  0.335  0.854  0.670  1.0
  Yb  Yb1  1  0.500  0.989  0.000  1.0
  Yb  Yb2  1  0.166  0.647  0.332  1.0
  Yb  Yb3  1  0.665  0.185  0.330  1.0
  Yb  Yb4  1  0.834  0.315  0.668  1.0
  Yb  Yb5  1  0.000  0.509  0.000  1.0
  Sn  Sn6  1  0.070  0.231  0.141  1.0
  Sn  Sn7  1  0.762  0.595  0.524  1.0
  Sn  Sn8  1  0.238  0.071  0.476  1.0
  Sn  Sn9  1  0.424  0.593  0.848  1.0
  Sn  Sn10  1  0.576  0.745  0.152  1.0
  Sn  Sn11  1  0.930  0.090  0.859  1.0
  Au  Au12  1  0.417  0.251  0.834  1.0
  Au  Au13  1  0.253  0.418  0.506  1.0
  Au  Au14  1  0.748  0.912  0.495  1.0
  Au  Au15  1  0.103  0.934  0.208  1.0
  Au  Au16  1  0.583  0.417  0.166  1.0
  Au  Au17  1  0.896  0.726  0.792  1.0
[/CIF]
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The material described by YbAuSn crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Au(1), two equivalent Au(3), three equivalent Au(2), one Sn(3), two equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Au(1), four equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms to form distorted face-sharing YbSn6Au6 cuboctahedra. In the third Yb site, Yb(3) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(1), three equivalent Au(2), one Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. In the fourth Yb site, Yb(4) is bonded to two equivalent Au(3), four equivalent Au(1), two equivalent Sn(1), and four equivalent Sn(3) atoms to form distorted face-sharing YbSn6Au6 cuboctahedra. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(3), two equivalent Yb(4), one Sn(3), and two equivalent Sn(1) atoms. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), and three equivalent Sn(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(1), two equivalent Yb(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(1), two equivalent Yb(2), one Au(3), two equivalent Au(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Yb(1), three equivalent Yb(3), one Au(3), and three equivalent Au(2) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(3), two equivalent Yb(4), one Au(1), and two equivalent Au(3) atoms. is represented by the CIF file [CIF]
data_YbSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.693
_cell_length_b   8.136
_cell_length_c   11.856
_cell_angle_alpha   110.089
_cell_angle_beta   101.424
_cell_angle_gamma   89.950
_symmetry_Int_Tables_number   1
_cell_volume   415.620
_cell_formula_units_Z   6
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  0.335  0.854  0.670  1.0
  Yb  Yb1  1  0.500  0.989  0.000  1.0
  Yb  Yb2  1  0.166  0.647  0.332  1.0
  Yb  Yb3  1  0.665  0.185  0.330  1.0
  Yb  Yb4  1  0.834  0.315  0.668  1.0
  Yb  Yb5  1  0.000  0.509  0.000  1.0
  Sn  Sn6  1  0.070  0.231  0.141  1.0
  Sn  Sn7  1  0.762  0.595  0.524  1.0
  Sn  Sn8  1  0.238  0.071  0.476  1.0
  Sn  Sn9  1  0.424  0.593  0.848  1.0
  Sn  Sn10  1  0.576  0.745  0.152  1.0
  Sn  Sn11  1  0.930  0.090  0.859  1.0
  Au  Au12  1  0.417  0.251  0.834  1.0
  Au  Au13  1  0.253  0.418  0.506  1.0
  Au  Au14  1  0.748  0.912  0.495  1.0
  Au  Au15  1  0.103  0.934  0.208  1.0
  Au  Au16  1  0.583  0.417  0.166  1.0
  Au  Au17  1  0.896  0.726  0.792  1.0
[/CIF]
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