The compound described by Y2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form distorted YSi8Pd4 cuboctahedra that share edges with four equivalent Y(2)Si12 cuboctahedra, edges with eight equivalent Y(1)Si8Pd4 cuboctahedra, faces with two equivalent Y(2)Si12 cuboctahedra, and faces with six equivalent Y(1)Si8Pd4 cuboctahedra. In the second Y site, Y(2) is bonded to twelve equivalent Si(1) atoms to form YSi12 cuboctahedra that share edges with twelve equivalent Y(1)Si8Pd4 cuboctahedra, faces with two equivalent Y(2)Si12 cuboctahedra, and faces with six equivalent Y(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Y(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Y2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.227
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   464.079
_cell_formula_units_Z   4
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
  Y  Y0  1  0.512  0.024  0.250  1.0
  Y  Y1  1  0.488  0.976  0.750  1.0
  Y  Y2  1  0.976  0.488  0.250  1.0
  Y  Y3  1  0.024  0.512  0.750  1.0
  Y  Y4  1  0.512  0.488  0.250  1.0
  Y  Y5  1  0.488  0.512  0.750  1.0
  Y  Y6  1  0.000  0.000  0.250  1.0
  Y  Y7  1  0.000  0.000  0.750  1.0
  Si  Si8  1  0.166  0.331  0.002  1.0
  Si  Si9  1  0.834  0.669  0.998  1.0
  Si  Si10  1  0.669  0.834  0.002  1.0
  Si  Si11  1  0.834  0.669  0.502  1.0
  Si  Si12  1  0.331  0.166  0.998  1.0
  Si  Si13  1  0.166  0.331  0.498  1.0
  Si  Si14  1  0.166  0.834  0.002  1.0
  Si  Si15  1  0.331  0.166  0.502  1.0
  Si  Si16  1  0.834  0.166  0.998  1.0
  Si  Si17  1  0.669  0.834  0.498  1.0
  Si  Si18  1  0.834  0.166  0.502  1.0
  Si  Si19  1  0.166  0.834  0.498  1.0
  Pd  Pd20  1  0.333  0.667  0.042  1.0
  Pd  Pd21  1  0.667  0.333  0.958  1.0
  Pd  Pd22  1  0.667  0.333  0.542  1.0
  Pd  Pd23  1  0.333  0.667  0.458  1.0
[/CIF]
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The compound described by Y2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form distorted YSi8Pd4 cuboctahedra that share edges with four equivalent Y(2)Si12 cuboctahedra, edges with eight equivalent Y(1)Si8Pd4 cuboctahedra, faces with two equivalent Y(2)Si12 cuboctahedra, and faces with six equivalent Y(1)Si8Pd4 cuboctahedra. In the second Y site, Y(2) is bonded to twelve equivalent Si(1) atoms to form YSi12 cuboctahedra that share edges with twelve equivalent Y(1)Si8Pd4 cuboctahedra, faces with two equivalent Y(2)Si12 cuboctahedra, and faces with six equivalent Y(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Y(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Y2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.227
_cell_length_c   7.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   464.079
_cell_formula_units_Z   4
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
  Y  Y0  1  0.512  0.024  0.250  1.0
  Y  Y1  1  0.488  0.976  0.750  1.0
  Y  Y2  1  0.976  0.488  0.250  1.0
  Y  Y3  1  0.024  0.512  0.750  1.0
  Y  Y4  1  0.512  0.488  0.250  1.0
  Y  Y5  1  0.488  0.512  0.750  1.0
  Y  Y6  1  0.000  0.000  0.250  1.0
  Y  Y7  1  0.000  0.000  0.750  1.0
  Si  Si8  1  0.166  0.331  0.002  1.0
  Si  Si9  1  0.834  0.669  0.998  1.0
  Si  Si10  1  0.669  0.834  0.002  1.0
  Si  Si11  1  0.834  0.669  0.502  1.0
  Si  Si12  1  0.331  0.166  0.998  1.0
  Si  Si13  1  0.166  0.331  0.498  1.0
  Si  Si14  1  0.166  0.834  0.002  1.0
  Si  Si15  1  0.331  0.166  0.502  1.0
  Si  Si16  1  0.834  0.166  0.998  1.0
  Si  Si17  1  0.669  0.834  0.498  1.0
  Si  Si18  1  0.834  0.166  0.502  1.0
  Si  Si19  1  0.166  0.834  0.498  1.0
  Pd  Pd20  1  0.333  0.667  0.042  1.0
  Pd  Pd21  1  0.667  0.333  0.958  1.0
  Pd  Pd22  1  0.667  0.333  0.542  1.0
  Pd  Pd23  1  0.333  0.667  0.458  1.0
[/CIF]
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