The compound described by Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a tetrahedral geometry to four equivalent Pd(2) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), and three 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_Ce3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.863
_cell_length_b   8.863
_cell_length_c   8.863
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   492.267
_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
  Ce  Ce0  1  0.750  0.750  0.750  1.0
  Ce  Ce1  1  0.250  0.250  0.250  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.252  0.252  0.748  1.0
  Si  Si4  1  0.748  0.252  0.252  1.0
  Si  Si5  1  0.748  0.252  0.748  1.0
  Si  Si6  1  0.252  0.748  0.252  1.0
  Si  Si7  1  0.252  0.748  0.748  1.0
  Si  Si8  1  0.748  0.748  0.252  1.0
  Pd  Pd9  1  0.849  0.500  0.500  1.0
  Pd  Pd10  1  0.876  0.876  0.876  1.0
  Pd  Pd11  1  0.124  0.124  0.124  1.0
  Pd  Pd12  1  0.628  0.124  0.124  1.0
  Pd  Pd13  1  0.151  0.500  0.500  1.0
  Pd  Pd14  1  0.500  0.151  0.849  1.0
  Pd  Pd15  1  0.372  0.876  0.876  1.0
  Pd  Pd16  1  0.500  0.849  0.500  1.0
  Pd  Pd17  1  0.500  0.151  0.500  1.0
  Pd  Pd18  1  0.124  0.628  0.124  1.0
  Pd  Pd19  1  0.151  0.849  0.500  1.0
  Pd  Pd20  1  0.124  0.124  0.628  1.0
  Pd  Pd21  1  0.151  0.500  0.849  1.0
  Pd  Pd22  1  0.500  0.849  0.151  1.0
  Pd  Pd23  1  0.500  0.500  0.151  1.0
  Pd  Pd24  1  0.500  0.500  0.849  1.0
  Pd  Pd25  1  0.876  0.372  0.876  1.0
  Pd  Pd26  1  0.849  0.151  0.500  1.0
  Pd  Pd27  1  0.876  0.876  0.372  1.0
  Pd  Pd28  1  0.849  0.500  0.151  1.0
[/CIF]
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The compound described by Ce3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a tetrahedral geometry to four equivalent Pd(2) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to eight equivalent Pd(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), and three 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_Ce3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.863
_cell_length_b   8.863
_cell_length_c   8.863
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   492.267
_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
  Ce  Ce0  1  0.750  0.750  0.750  1.0
  Ce  Ce1  1  0.250  0.250  0.250  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.252  0.252  0.748  1.0
  Si  Si4  1  0.748  0.252  0.252  1.0
  Si  Si5  1  0.748  0.252  0.748  1.0
  Si  Si6  1  0.252  0.748  0.252  1.0
  Si  Si7  1  0.252  0.748  0.748  1.0
  Si  Si8  1  0.748  0.748  0.252  1.0
  Pd  Pd9  1  0.849  0.500  0.500  1.0
  Pd  Pd10  1  0.876  0.876  0.876  1.0
  Pd  Pd11  1  0.124  0.124  0.124  1.0
  Pd  Pd12  1  0.628  0.124  0.124  1.0
  Pd  Pd13  1  0.151  0.500  0.500  1.0
  Pd  Pd14  1  0.500  0.151  0.849  1.0
  Pd  Pd15  1  0.372  0.876  0.876  1.0
  Pd  Pd16  1  0.500  0.849  0.500  1.0
  Pd  Pd17  1  0.500  0.151  0.500  1.0
  Pd  Pd18  1  0.124  0.628  0.124  1.0
  Pd  Pd19  1  0.151  0.849  0.500  1.0
  Pd  Pd20  1  0.124  0.124  0.628  1.0
  Pd  Pd21  1  0.151  0.500  0.849  1.0
  Pd  Pd22  1  0.500  0.849  0.151  1.0
  Pd  Pd23  1  0.500  0.500  0.151  1.0
  Pd  Pd24  1  0.500  0.500  0.849  1.0
  Pd  Pd25  1  0.876  0.372  0.876  1.0
  Pd  Pd26  1  0.849  0.151  0.500  1.0
  Pd  Pd27  1  0.876  0.876  0.372  1.0
  Pd  Pd28  1  0.849  0.500  0.151  1.0
[/CIF]
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