The material described by La3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Pd(1) and twelve equivalent Pd(2) atoms to form distorted LaPd16 tetrahedra that share edges with six equivalent La(1)Pd16 tetrahedra and faces with four equivalent La(2)Pd12 cuboctahedra. In the second La site, La(2) is bonded to twelve equivalent Pd(2) atoms to form distorted face-sharing LaPd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one La(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing PdLaSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one La(2), two equivalent La(1), 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_La3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   8.747
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   473.193
_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
  La  La0  1  0.750  0.750  0.750  1.0
  La  La1  1  0.250  0.250  0.250  1.0
  La  La2  1  1.000  0.000  1.000  1.0
  Si  Si3  1  0.733  0.733  0.267  1.0
  Si  Si4  1  0.267  0.267  0.733  1.0
  Si  Si5  1  0.733  0.267  0.733  1.0
  Si  Si6  1  0.267  0.733  0.267  1.0
  Si  Si7  1  0.267  0.733  0.733  1.0
  Si  Si8  1  0.733  0.267  0.267  1.0
  Pd  Pd9  1  0.614  0.614  0.614  1.0
  Pd  Pd10  1  0.386  0.386  0.386  1.0
  Pd  Pd11  1  0.158  0.614  0.614  1.0
  Pd  Pd12  1  0.614  0.158  0.614  1.0
  Pd  Pd13  1  0.842  0.386  0.386  1.0
  Pd  Pd14  1  0.386  0.842  0.386  1.0
  Pd  Pd15  1  0.614  0.614  0.158  1.0
  Pd  Pd16  1  0.386  0.386  0.842  1.0
  Pd  Pd17  1  0.000  0.000  0.652  1.0
  Pd  Pd18  1  1.000  1.000  0.348  1.0
  Pd  Pd19  1  0.348  0.652  1.000  1.0
  Pd  Pd20  1  0.652  0.348  0.000  1.0
  Pd  Pd21  1  1.000  0.652  0.000  1.0
  Pd  Pd22  1  0.652  0.000  0.348  1.0
  Pd  Pd23  1  0.000  0.348  1.000  1.0
  Pd  Pd24  1  0.348  1.000  0.652  1.0
  Pd  Pd25  1  0.652  0.000  0.000  1.0
  Pd  Pd26  1  0.348  1.000  1.000  1.0
  Pd  Pd27  1  1.000  0.652  0.348  1.0
  Pd  Pd28  1  0.000  0.348  0.652  1.0
[/CIF]
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The material described by La3Pd20Si6 crystallizes in the cubic Fm-3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent Pd(1) and twelve equivalent Pd(2) atoms to form distorted LaPd16 tetrahedra that share edges with six equivalent La(1)Pd16 tetrahedra and faces with four equivalent La(2)Pd12 cuboctahedra. In the second La site, La(2) is bonded to twelve equivalent Pd(2) atoms to form distorted face-sharing LaPd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one La(1) and three equivalent Si(1) atoms to form a mixture of corner and edge-sharing PdLaSi3 tetrahedra. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one La(2), two equivalent La(1), 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_La3(Si3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.747
_cell_length_b   8.747
_cell_length_c   8.747
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   473.193
_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
  La  La0  1  0.750  0.750  0.750  1.0
  La  La1  1  0.250  0.250  0.250  1.0
  La  La2  1  1.000  0.000  1.000  1.0
  Si  Si3  1  0.733  0.733  0.267  1.0
  Si  Si4  1  0.267  0.267  0.733  1.0
  Si  Si5  1  0.733  0.267  0.733  1.0
  Si  Si6  1  0.267  0.733  0.267  1.0
  Si  Si7  1  0.267  0.733  0.733  1.0
  Si  Si8  1  0.733  0.267  0.267  1.0
  Pd  Pd9  1  0.614  0.614  0.614  1.0
  Pd  Pd10  1  0.386  0.386  0.386  1.0
  Pd  Pd11  1  0.158  0.614  0.614  1.0
  Pd  Pd12  1  0.614  0.158  0.614  1.0
  Pd  Pd13  1  0.842  0.386  0.386  1.0
  Pd  Pd14  1  0.386  0.842  0.386  1.0
  Pd  Pd15  1  0.614  0.614  0.158  1.0
  Pd  Pd16  1  0.386  0.386  0.842  1.0
  Pd  Pd17  1  0.000  0.000  0.652  1.0
  Pd  Pd18  1  1.000  1.000  0.348  1.0
  Pd  Pd19  1  0.348  0.652  1.000  1.0
  Pd  Pd20  1  0.652  0.348  0.000  1.0
  Pd  Pd21  1  1.000  0.652  0.000  1.0
  Pd  Pd22  1  0.652  0.000  0.348  1.0
  Pd  Pd23  1  0.000  0.348  1.000  1.0
  Pd  Pd24  1  0.348  1.000  0.652  1.0
  Pd  Pd25  1  0.652  0.000  0.000  1.0
  Pd  Pd26  1  0.348  1.000  1.000  1.0
  Pd  Pd27  1  1.000  0.652  0.348  1.0
  Pd  Pd28  1  0.000  0.348  0.652  1.0
[/CIF]
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