The crystal structure described by Yb3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted tetrahedral geometry to four equivalent Pd(1) atoms. In the second Yb site, Yb(2) is bonded in a cuboctahedral geometry to twelve equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Yb(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing PdYbSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent Si(1) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.611
_cell_length_b   8.611
_cell_length_c   8.611
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   451.541
_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
  Yb  Yb0  1  0.250  0.250  0.250  1.0
  Yb  Yb1  1  0.750  0.750  0.750  1.0
  Yb  Yb2  1  1.000  0.000  1.000  1.0
  Si  Si3  1  0.731  0.269  0.269  1.0
  Si  Si4  1  0.269  0.731  0.731  1.0
  Si  Si5  1  0.269  0.731  0.269  1.0
  Si  Si6  1  0.731  0.269  0.731  1.0
  Si  Si7  1  0.269  0.269  0.731  1.0
  Si  Si8  1  0.731  0.731  0.269  1.0
  Pd  Pd9  1  0.383  0.383  0.383  1.0
  Pd  Pd10  1  0.617  0.617  0.617  1.0
  Pd  Pd11  1  0.383  0.383  0.851  1.0
  Pd  Pd12  1  0.383  0.851  0.383  1.0
  Pd  Pd13  1  0.617  0.617  0.149  1.0
  Pd  Pd14  1  0.617  0.149  0.617  1.0
  Pd  Pd15  1  0.851  0.383  0.383  1.0
  Pd  Pd16  1  0.149  0.617  0.617  1.0
  Pd  Pd17  1  0.344  1.000  1.000  1.0
  Pd  Pd18  1  0.656  0.000  0.000  1.0
  Pd  Pd19  1  1.000  0.344  0.656  1.0
  Pd  Pd20  1  1.000  0.656  0.344  1.0
  Pd  Pd21  1  1.000  0.344  1.000  1.0
  Pd  Pd22  1  0.656  1.000  0.344  1.0
  Pd  Pd23  1  0.000  0.656  0.000  1.0
  Pd  Pd24  1  0.344  1.000  0.656  1.0
  Pd  Pd25  1  1.000  1.000  0.344  1.0
  Pd  Pd26  1  0.000  0.000  0.656  1.0
  Pd  Pd27  1  0.656  0.344  1.000  1.0
  Pd  Pd28  1  0.344  0.656  1.000  1.0
[/CIF]
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The crystal structure described by Yb3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted tetrahedral geometry to four equivalent Pd(1) atoms. In the second Yb site, Yb(2) is bonded in a cuboctahedral geometry to twelve equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Yb(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing PdYbSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent Si(1) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.611
_cell_length_b   8.611
_cell_length_c   8.611
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   451.541
_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
  Yb  Yb0  1  0.250  0.250  0.250  1.0
  Yb  Yb1  1  0.750  0.750  0.750  1.0
  Yb  Yb2  1  1.000  0.000  1.000  1.0
  Si  Si3  1  0.731  0.269  0.269  1.0
  Si  Si4  1  0.269  0.731  0.731  1.0
  Si  Si5  1  0.269  0.731  0.269  1.0
  Si  Si6  1  0.731  0.269  0.731  1.0
  Si  Si7  1  0.269  0.269  0.731  1.0
  Si  Si8  1  0.731  0.731  0.269  1.0
  Pd  Pd9  1  0.383  0.383  0.383  1.0
  Pd  Pd10  1  0.617  0.617  0.617  1.0
  Pd  Pd11  1  0.383  0.383  0.851  1.0
  Pd  Pd12  1  0.383  0.851  0.383  1.0
  Pd  Pd13  1  0.617  0.617  0.149  1.0
  Pd  Pd14  1  0.617  0.149  0.617  1.0
  Pd  Pd15  1  0.851  0.383  0.383  1.0
  Pd  Pd16  1  0.149  0.617  0.617  1.0
  Pd  Pd17  1  0.344  1.000  1.000  1.0
  Pd  Pd18  1  0.656  0.000  0.000  1.0
  Pd  Pd19  1  1.000  0.344  0.656  1.0
  Pd  Pd20  1  1.000  0.656  0.344  1.0
  Pd  Pd21  1  1.000  0.344  1.000  1.0
  Pd  Pd22  1  0.656  1.000  0.344  1.0
  Pd  Pd23  1  0.000  0.656  0.000  1.0
  Pd  Pd24  1  0.344  1.000  0.656  1.0
  Pd  Pd25  1  1.000  1.000  0.344  1.0
  Pd  Pd26  1  0.000  0.000  0.656  1.0
  Pd  Pd27  1  0.656  0.344  1.000  1.0
  Pd  Pd28  1  0.344  0.656  1.000  1.0
[/CIF]
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