The crystal structure described by Yb20(Au3Cd)3 crystallizes in the tetragonal P422 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to four equivalent Au(1), one Cd(1), and one Cd(2) atom. In the second Yb site, Yb(2) is bonded in a 4-coordinate geometry to one Au(2), four equivalent Au(1), and one Cd(3) atom. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one Au(2), three equivalent Au(1), and one Cd(2) atom. In the fourth Yb site, Yb(4) is bonded in a 5-coordinate geometry to three equivalent Au(1), one Cd(1), and one Cd(3) atom. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Yb(1), one Yb(2), three equivalent Yb(3), and three equivalent Yb(4) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(3) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to two equivalent Yb(1) and eight equivalent Yb(4) atoms. In the second Cd site, Cd(2) is bonded in a distorted q6 geometry to two equivalent Yb(1) and eight equivalent Yb(3) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(4) atoms. is represented by the CIF card [CIF]
data_Yb20(CdAu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.800
_cell_length_b   7.800
_cell_length_c   14.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   860.522
_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  0.000  0.000  0.757  1.0
  Yb  Yb1  1  0.500  0.500  0.251  1.0
  Yb  Yb2  1  0.000  0.000  0.243  1.0
  Yb  Yb3  1  0.500  0.500  0.749  1.0
  Yb  Yb4  1  0.174  0.656  0.108  1.0
  Yb  Yb5  1  0.665  0.164  0.613  1.0
  Yb  Yb6  1  0.826  0.344  0.108  1.0
  Yb  Yb7  1  0.335  0.836  0.613  1.0
  Yb  Yb8  1  0.344  0.174  0.108  1.0
  Yb  Yb9  1  0.836  0.665  0.613  1.0
  Yb  Yb10  1  0.656  0.826  0.108  1.0
  Yb  Yb11  1  0.164  0.335  0.613  1.0
  Yb  Yb12  1  0.344  0.826  0.892  1.0
  Yb  Yb13  1  0.836  0.335  0.387  1.0
  Yb  Yb14  1  0.656  0.174  0.892  1.0
  Yb  Yb15  1  0.164  0.665  0.387  1.0
  Yb  Yb16  1  0.174  0.344  0.892  1.0
  Yb  Yb17  1  0.665  0.836  0.387  1.0
  Yb  Yb18  1  0.826  0.656  0.892  1.0
  Yb  Yb19  1  0.335  0.164  0.387  1.0
  Cd  Cd20  1  0.000  0.000  0.500  1.0
  Cd  Cd21  1  0.000  0.000  0.000  1.0
  Cd  Cd22  1  0.500  0.500  0.500  1.0
  Au  Au23  1  0.635  0.135  0.248  1.0
  Au  Au24  1  0.135  0.635  0.752  1.0
  Au  Au25  1  0.865  0.365  0.752  1.0
  Au  Au26  1  0.365  0.865  0.248  1.0
  Au  Au27  1  0.365  0.135  0.752  1.0
  Au  Au28  1  0.865  0.635  0.248  1.0
  Au  Au29  1  0.135  0.365  0.248  1.0
  Au  Au30  1  0.635  0.865  0.752  1.0
  Au  Au31  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Yb20(Au3Cd)3 crystallizes in the tetragonal P422 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to four equivalent Au(1), one Cd(1), and one Cd(2) atom. In the second Yb site, Yb(2) is bonded in a 4-coordinate geometry to one Au(2), four equivalent Au(1), and one Cd(3) atom. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one Au(2), three equivalent Au(1), and one Cd(2) atom. In the fourth Yb site, Yb(4) is bonded in a 5-coordinate geometry to three equivalent Au(1), one Cd(1), and one Cd(3) atom. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Yb(1), one Yb(2), three equivalent Yb(3), and three equivalent Yb(4) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(3) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to two equivalent Yb(1) and eight equivalent Yb(4) atoms. In the second Cd site, Cd(2) is bonded in a distorted q6 geometry to two equivalent Yb(1) and eight equivalent Yb(3) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to two equivalent Yb(2) and eight equivalent Yb(4) atoms. is represented by the CIF card [CIF]
data_Yb20(CdAu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.800
_cell_length_b   7.800
_cell_length_c   14.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   860.522
_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  0.000  0.000  0.757  1.0
  Yb  Yb1  1  0.500  0.500  0.251  1.0
  Yb  Yb2  1  0.000  0.000  0.243  1.0
  Yb  Yb3  1  0.500  0.500  0.749  1.0
  Yb  Yb4  1  0.174  0.656  0.108  1.0
  Yb  Yb5  1  0.665  0.164  0.613  1.0
  Yb  Yb6  1  0.826  0.344  0.108  1.0
  Yb  Yb7  1  0.335  0.836  0.613  1.0
  Yb  Yb8  1  0.344  0.174  0.108  1.0
  Yb  Yb9  1  0.836  0.665  0.613  1.0
  Yb  Yb10  1  0.656  0.826  0.108  1.0
  Yb  Yb11  1  0.164  0.335  0.613  1.0
  Yb  Yb12  1  0.344  0.826  0.892  1.0
  Yb  Yb13  1  0.836  0.335  0.387  1.0
  Yb  Yb14  1  0.656  0.174  0.892  1.0
  Yb  Yb15  1  0.164  0.665  0.387  1.0
  Yb  Yb16  1  0.174  0.344  0.892  1.0
  Yb  Yb17  1  0.665  0.836  0.387  1.0
  Yb  Yb18  1  0.826  0.656  0.892  1.0
  Yb  Yb19  1  0.335  0.164  0.387  1.0
  Cd  Cd20  1  0.000  0.000  0.500  1.0
  Cd  Cd21  1  0.000  0.000  0.000  1.0
  Cd  Cd22  1  0.500  0.500  0.500  1.0
  Au  Au23  1  0.635  0.135  0.248  1.0
  Au  Au24  1  0.135  0.635  0.752  1.0
  Au  Au25  1  0.865  0.365  0.752  1.0
  Au  Au26  1  0.365  0.865  0.248  1.0
  Au  Au27  1  0.365  0.135  0.752  1.0
  Au  Au28  1  0.865  0.635  0.248  1.0
  Au  Au29  1  0.135  0.365  0.248  1.0
  Au  Au30  1  0.635  0.865  0.752  1.0
  Au  Au31  1  0.500  0.500  0.000  1.0
[/CIF]
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