The compound described by Nd2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form NdSi8Pd4 cuboctahedra that share edges with four equivalent Nd(2)Si12 cuboctahedra, edges with eight equivalent Nd(1)Si8Pd4 cuboctahedra, faces with two equivalent Nd(2)Si12 cuboctahedra, and faces with six equivalent Nd(1)Si8Pd4 cuboctahedra. In the second Nd site, Nd(2) is bonded to twelve equivalent Si(1) atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent Nd(1)Si8Pd4 cuboctahedra, faces with two equivalent Nd(2)Si12 cuboctahedra, and faces with six equivalent Nd(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nd2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.261
_cell_length_b   8.247
_cell_length_c   8.247
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.973
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.500  0.000  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.333  0.667  1.0
  Pd  Pd5  1  0.000  0.667  0.333  1.0
  Si  Si6  1  0.000  0.166  0.332  1.0
  Si  Si7  1  0.000  0.834  0.668  1.0
  Si  Si8  1  0.000  0.668  0.834  1.0
  Si  Si9  1  0.000  0.332  0.166  1.0
  Si  Si10  1  0.000  0.166  0.834  1.0
  Si  Si11  1  0.000  0.834  0.166  1.0
[/CIF]
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The compound described by Nd2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Pd(1) and eight equivalent Si(1) atoms to form NdSi8Pd4 cuboctahedra that share edges with four equivalent Nd(2)Si12 cuboctahedra, edges with eight equivalent Nd(1)Si8Pd4 cuboctahedra, faces with two equivalent Nd(2)Si12 cuboctahedra, and faces with six equivalent Nd(1)Si8Pd4 cuboctahedra. In the second Nd site, Nd(2) is bonded to twelve equivalent Si(1) atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent Nd(1)Si8Pd4 cuboctahedra, faces with two equivalent Nd(2)Si12 cuboctahedra, and faces with six equivalent Nd(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nd2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.261
_cell_length_b   8.247
_cell_length_c   8.247
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.973
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.500  0.000  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.333  0.667  1.0
  Pd  Pd5  1  0.000  0.667  0.333  1.0
  Si  Si6  1  0.000  0.166  0.332  1.0
  Si  Si7  1  0.000  0.834  0.668  1.0
  Si  Si8  1  0.000  0.668  0.834  1.0
  Si  Si9  1  0.000  0.332  0.166  1.0
  Si  Si10  1  0.000  0.166  0.834  1.0
  Si  Si11  1  0.000  0.834  0.166  1.0
[/CIF]
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