The material 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 to twelve equivalent Pd(2) atoms to form distorted face-sharing CePd12 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Pd(1) and twelve equivalent Pd(2) atoms to form distorted CePd16 tetrahedra that share edges with six equivalent Ce(2)Pd16 tetrahedra and faces with four equivalent Ce(1)Pd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Ce(2) and three equivalent Si(1) atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ce(1), two equivalent Ce(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 CIF card [CIF]
data_Ce3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.712
_cell_length_b   8.712
_cell_length_c   8.712
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   467.600
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.750  0.750  0.750  1.0
  Ce  Ce2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.733  0.733  0.267  1.0
  Si  Si4  1  0.267  0.733  0.267  1.0
  Si  Si5  1  0.733  0.267  0.267  1.0
  Si  Si6  1  0.267  0.267  0.733  1.0
  Si  Si7  1  0.733  0.267  0.733  1.0
  Si  Si8  1  0.267  0.733  0.733  1.0
  Pd  Pd9  1  0.615  0.615  0.155  1.0
  Pd  Pd10  1  0.615  0.155  0.615  1.0
  Pd  Pd11  1  0.155  0.615  0.615  1.0
  Pd  Pd12  1  0.615  0.615  0.615  1.0
  Pd  Pd13  1  0.385  0.385  0.845  1.0
  Pd  Pd14  1  0.385  0.845  0.385  1.0
  Pd  Pd15  1  0.845  0.385  0.385  1.0
  Pd  Pd16  1  0.385  0.385  0.385  1.0
  Pd  Pd17  1  0.000  1.000  0.346  1.0
  Pd  Pd18  1  0.654  0.000  0.346  1.0
  Pd  Pd19  1  1.000  0.654  0.346  1.0
  Pd  Pd20  1  0.654  0.346  1.000  1.0
  Pd  Pd21  1  0.000  0.346  0.000  1.0
  Pd  Pd22  1  0.000  0.346  0.654  1.0
  Pd  Pd23  1  0.346  0.654  0.000  1.0
  Pd  Pd24  1  0.346  0.000  0.654  1.0
  Pd  Pd25  1  0.346  0.000  1.000  1.0
  Pd  Pd26  1  1.000  0.000  0.654  1.0
  Pd  Pd27  1  1.000  0.654  0.000  1.0
  Pd  Pd28  1  0.654  1.000  0.000  1.0
[/CIF]
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The material 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 to twelve equivalent Pd(2) atoms to form distorted face-sharing CePd12 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Pd(1) and twelve equivalent Pd(2) atoms to form distorted CePd16 tetrahedra that share edges with six equivalent Ce(2)Pd16 tetrahedra and faces with four equivalent Ce(1)Pd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Ce(2) and three equivalent Si(1) atoms to form a mixture of edge and corner-sharing PdCeSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ce(1), two equivalent Ce(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 CIF card [CIF]
data_Ce3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.712
_cell_length_b   8.712
_cell_length_c   8.712
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   467.600
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.750  0.750  0.750  1.0
  Ce  Ce2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.733  0.733  0.267  1.0
  Si  Si4  1  0.267  0.733  0.267  1.0
  Si  Si5  1  0.733  0.267  0.267  1.0
  Si  Si6  1  0.267  0.267  0.733  1.0
  Si  Si7  1  0.733  0.267  0.733  1.0
  Si  Si8  1  0.267  0.733  0.733  1.0
  Pd  Pd9  1  0.615  0.615  0.155  1.0
  Pd  Pd10  1  0.615  0.155  0.615  1.0
  Pd  Pd11  1  0.155  0.615  0.615  1.0
  Pd  Pd12  1  0.615  0.615  0.615  1.0
  Pd  Pd13  1  0.385  0.385  0.845  1.0
  Pd  Pd14  1  0.385  0.845  0.385  1.0
  Pd  Pd15  1  0.845  0.385  0.385  1.0
  Pd  Pd16  1  0.385  0.385  0.385  1.0
  Pd  Pd17  1  0.000  1.000  0.346  1.0
  Pd  Pd18  1  0.654  0.000  0.346  1.0
  Pd  Pd19  1  1.000  0.654  0.346  1.0
  Pd  Pd20  1  0.654  0.346  1.000  1.0
  Pd  Pd21  1  0.000  0.346  0.000  1.0
  Pd  Pd22  1  0.000  0.346  0.654  1.0
  Pd  Pd23  1  0.346  0.654  0.000  1.0
  Pd  Pd24  1  0.346  0.000  0.654  1.0
  Pd  Pd25  1  0.346  0.000  1.000  1.0
  Pd  Pd26  1  1.000  0.000  0.654  1.0
  Pd  Pd27  1  1.000  0.654  0.000  1.0
  Pd  Pd28  1  0.654  1.000  0.000  1.0
[/CIF]
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