The structure described by Ba8Au3Si43 crystallizes in the trigonal R32 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to one Si(1), one Si(2), three equivalent Si(3), three equivalent Si(4), three equivalent Si(5), three equivalent Si(6), three equivalent Si(7), and three equivalent Si(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Au(1), two equivalent Si(1), two equivalent Si(5), two equivalent Si(6), two equivalent Si(7), two equivalent Si(8), two equivalent Si(9), and four equivalent Si(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Au(1), two equivalent Si(4), two equivalent Si(5), two equivalent Si(6), two equivalent Si(7), two equivalent Si(8), and two equivalent Si(9) atoms. Au(1) is bonded to two equivalent Ba(2), two equivalent Ba(3), two equivalent Si(5), and two equivalent Si(8) atoms to form AuBa4Si4 tetrahedra that share corners with four equivalent Au(1)Ba4Si4 tetrahedra, corners with four equivalent Si(9)Ba4Si4 tetrahedra, and edges with two equivalent Si(9)Ba4Si4 tetrahedra. There are nine inequivalent Si sites. In the first Si site, Si(9) is bonded to two equivalent Ba(2), two equivalent Ba(3), two equivalent Si(6), and two equivalent Si(7) atoms to form distorted SiBa4Si4 tetrahedra that share corners with four equivalent Au(1)Ba4Si4 tetrahedra, corners with four equivalent Si(9)Ba4Si4 tetrahedra, and edges with two equivalent Au(1)Ba4Si4 tetrahedra. In the second Si site, Si(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one Au(1), one Si(1), one Si(4), and one Si(7) atom. In the third Si site, Si(6) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Si(2), one Si(3), one Si(8), and one Si(9) atom. In the fourth Si site, Si(7) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Si(3), one Si(4), one Si(5), and one Si(9) atom. In the fifth Si site, Si(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one Au(1), one Si(3), one Si(4), and one Si(6) atom. In the sixth Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Ba(1), three equivalent Ba(2), one Si(1), and three equivalent Si(5) atoms. In the seventh Si site, Si(2) is bonded in a 5-coordinate geometry to one Ba(1), one Si(2), and three equivalent Si(6) atoms. In the eighth Si site, Si(3) is bonded in a 5-coordinate geometry to one Ba(1), one Si(3), one Si(6), one Si(7), and one Si(8) atom. In the ninth Si site, Si(4) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Si(4), one Si(5), one Si(7), and one Si(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Si43Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.418
_cell_length_b   10.418
_cell_length_c   10.418
_cell_angle_alpha   90.043
_cell_angle_beta   90.043
_cell_angle_gamma   90.043
_symmetry_Int_Tables_number   1
_cell_volume   1130.843
_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
  Ba  Ba0  1  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ba  Ba2  1  0.500  0.739  0.261  1.0
  Ba  Ba3  1  0.739  0.261  0.500  1.0
  Ba  Ba4  1  0.261  0.500  0.739  1.0
  Ba  Ba5  1  0.000  0.739  0.261  1.0
  Ba  Ba6  1  0.739  0.261  0.000  1.0
  Ba  Ba7  1  0.261  1.000  0.739  1.0
  Si  Si8  1  0.433  0.433  0.433  1.0
  Si  Si9  1  0.064  0.064  0.064  1.0
  Si  Si10  1  0.063  0.433  0.063  1.0
  Si  Si11  1  0.434  0.063  0.433  1.0
  Si  Si12  1  0.433  0.063  0.063  1.0
  Si  Si13  1  0.063  0.433  0.434  1.0
  Si  Si14  1  0.063  0.063  0.433  1.0
  Si  Si15  1  0.433  0.434  0.063  1.0
  Si  Si16  1  0.567  0.937  0.566  1.0
  Si  Si17  1  0.937  0.567  0.937  1.0
  Si  Si18  1  0.936  0.936  0.936  1.0
  Si  Si19  1  0.567  0.567  0.567  1.0
  Si  Si20  1  0.937  0.566  0.567  1.0
  Si  Si21  1  0.567  0.937  0.937  1.0
  Si  Si22  1  0.566  0.567  0.937  1.0
  Si  Si23  1  0.937  0.937  0.567  1.0
  Si  Si24  1  0.248  0.554  0.370  1.0
  Si  Si25  1  0.554  0.370  0.248  1.0
  Si  Si26  1  0.370  0.248  0.554  1.0
  Si  Si27  1  0.248  0.942  0.131  1.0
  Si  Si28  1  0.942  0.131  0.248  1.0
  Si  Si29  1  0.131  0.248  0.942  1.0
  Si  Si30  1  0.248  0.554  0.130  1.0
  Si  Si31  1  0.943  0.367  0.248  1.0
  Si  Si32  1  0.248  0.943  0.367  1.0
  Si  Si33  1  0.554  0.130  0.248  1.0
  Si  Si34  1  0.367  0.248  0.943  1.0
  Si  Si35  1  0.130  0.248  0.554  1.0
  Si  Si36  1  0.633  0.057  0.752  1.0
  Si  Si37  1  0.752  0.870  0.446  1.0
  Si  Si38  1  0.446  0.752  0.630  1.0
  Si  Si39  1  0.870  0.446  0.752  1.0
  Si  Si40  1  0.752  0.633  0.057  1.0
  Si  Si41  1  0.058  0.752  0.869  1.0
  Si  Si42  1  0.869  0.058  0.752  1.0
  Si  Si43  1  0.752  0.869  0.058  1.0
  Si  Si44  1  0.630  0.446  0.752  1.0
  Si  Si45  1  0.752  0.630  0.446  1.0
  Si  Si46  1  0.057  0.752  0.633  1.0
  Si  Si47  1  0.446  0.752  0.870  1.0
  Si  Si48  1  0.000  0.251  0.749  1.0
  Si  Si49  1  0.251  0.749  0.000  1.0
  Si  Si50  1  0.749  1.000  0.251  1.0
  Au  Au51  1  0.500  0.251  0.749  1.0
  Au  Au52  1  0.251  0.749  0.500  1.0
  Au  Au53  1  0.749  0.500  0.251  1.0
[/CIF]
.
The structure described by Ba8Au3Si43 crystallizes in the trigonal R32 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to one Si(1), one Si(2), three equivalent Si(3), three equivalent Si(4), three equivalent Si(5), three equivalent Si(6), three equivalent Si(7), and three equivalent Si(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Au(1), two equivalent Si(1), two equivalent Si(5), two equivalent Si(6), two equivalent Si(7), two equivalent Si(8), two equivalent Si(9), and four equivalent Si(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Au(1), two equivalent Si(4), two equivalent Si(5), two equivalent Si(6), two equivalent Si(7), two equivalent Si(8), and two equivalent Si(9) atoms. Au(1) is bonded to two equivalent Ba(2), two equivalent Ba(3), two equivalent Si(5), and two equivalent Si(8) atoms to form AuBa4Si4 tetrahedra that share corners with four equivalent Au(1)Ba4Si4 tetrahedra, corners with four equivalent Si(9)Ba4Si4 tetrahedra, and edges with two equivalent Si(9)Ba4Si4 tetrahedra. There are nine inequivalent Si sites. In the first Si site, Si(9) is bonded to two equivalent Ba(2), two equivalent Ba(3), two equivalent Si(6), and two equivalent Si(7) atoms to form distorted SiBa4Si4 tetrahedra that share corners with four equivalent Au(1)Ba4Si4 tetrahedra, corners with four equivalent Si(9)Ba4Si4 tetrahedra, and edges with two equivalent Au(1)Ba4Si4 tetrahedra. In the second Si site, Si(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one Au(1), one Si(1), one Si(4), and one Si(7) atom. In the third Si site, Si(6) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Si(2), one Si(3), one Si(8), and one Si(9) atom. In the fourth Si site, Si(7) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Si(3), one Si(4), one Si(5), and one Si(9) atom. In the fifth Si site, Si(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), one Au(1), one Si(3), one Si(4), and one Si(6) atom. In the sixth Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Ba(1), three equivalent Ba(2), one Si(1), and three equivalent Si(5) atoms. In the seventh Si site, Si(2) is bonded in a 5-coordinate geometry to one Ba(1), one Si(2), and three equivalent Si(6) atoms. In the eighth Si site, Si(3) is bonded in a 5-coordinate geometry to one Ba(1), one Si(3), one Si(6), one Si(7), and one Si(8) atom. In the ninth Si site, Si(4) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Si(4), one Si(5), one Si(7), and one Si(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8Si43Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.418
_cell_length_b   10.418
_cell_length_c   10.418
_cell_angle_alpha   90.043
_cell_angle_beta   90.043
_cell_angle_gamma   90.043
_symmetry_Int_Tables_number   1
_cell_volume   1130.843
_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
  Ba  Ba0  1  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ba  Ba2  1  0.500  0.739  0.261  1.0
  Ba  Ba3  1  0.739  0.261  0.500  1.0
  Ba  Ba4  1  0.261  0.500  0.739  1.0
  Ba  Ba5  1  0.000  0.739  0.261  1.0
  Ba  Ba6  1  0.739  0.261  0.000  1.0
  Ba  Ba7  1  0.261  1.000  0.739  1.0
  Si  Si8  1  0.433  0.433  0.433  1.0
  Si  Si9  1  0.064  0.064  0.064  1.0
  Si  Si10  1  0.063  0.433  0.063  1.0
  Si  Si11  1  0.434  0.063  0.433  1.0
  Si  Si12  1  0.433  0.063  0.063  1.0
  Si  Si13  1  0.063  0.433  0.434  1.0
  Si  Si14  1  0.063  0.063  0.433  1.0
  Si  Si15  1  0.433  0.434  0.063  1.0
  Si  Si16  1  0.567  0.937  0.566  1.0
  Si  Si17  1  0.937  0.567  0.937  1.0
  Si  Si18  1  0.936  0.936  0.936  1.0
  Si  Si19  1  0.567  0.567  0.567  1.0
  Si  Si20  1  0.937  0.566  0.567  1.0
  Si  Si21  1  0.567  0.937  0.937  1.0
  Si  Si22  1  0.566  0.567  0.937  1.0
  Si  Si23  1  0.937  0.937  0.567  1.0
  Si  Si24  1  0.248  0.554  0.370  1.0
  Si  Si25  1  0.554  0.370  0.248  1.0
  Si  Si26  1  0.370  0.248  0.554  1.0
  Si  Si27  1  0.248  0.942  0.131  1.0
  Si  Si28  1  0.942  0.131  0.248  1.0
  Si  Si29  1  0.131  0.248  0.942  1.0
  Si  Si30  1  0.248  0.554  0.130  1.0
  Si  Si31  1  0.943  0.367  0.248  1.0
  Si  Si32  1  0.248  0.943  0.367  1.0
  Si  Si33  1  0.554  0.130  0.248  1.0
  Si  Si34  1  0.367  0.248  0.943  1.0
  Si  Si35  1  0.130  0.248  0.554  1.0
  Si  Si36  1  0.633  0.057  0.752  1.0
  Si  Si37  1  0.752  0.870  0.446  1.0
  Si  Si38  1  0.446  0.752  0.630  1.0
  Si  Si39  1  0.870  0.446  0.752  1.0
  Si  Si40  1  0.752  0.633  0.057  1.0
  Si  Si41  1  0.058  0.752  0.869  1.0
  Si  Si42  1  0.869  0.058  0.752  1.0
  Si  Si43  1  0.752  0.869  0.058  1.0
  Si  Si44  1  0.630  0.446  0.752  1.0
  Si  Si45  1  0.752  0.630  0.446  1.0
  Si  Si46  1  0.057  0.752  0.633  1.0
  Si  Si47  1  0.446  0.752  0.870  1.0
  Si  Si48  1  0.000  0.251  0.749  1.0
  Si  Si49  1  0.251  0.749  0.000  1.0
  Si  Si50  1  0.749  1.000  0.251  1.0
  Au  Au51  1  0.500  0.251  0.749  1.0
  Au  Au52  1  0.251  0.749  0.500  1.0
  Au  Au53  1  0.749  0.500  0.251  1.0
[/CIF]
.