The structure described by PdNiSi crystallizes in the hexagonal P-62m space group. Pd(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Pd(1), two equivalent Ni(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pd(1) and three equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_SiNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   3.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.076
_cell_formula_units_Z   3
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
  Si  Si0  1  0.667  0.333  0.000  1.0
  Si  Si1  1  0.333  0.667  0.000  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.747  0.747  0.000  1.0
  Ni  Ni4  1  0.253  0.000  0.000  1.0
  Ni  Ni5  1  0.000  0.253  0.000  1.0
  Pd  Pd6  1  0.400  0.400  0.500  1.0
  Pd  Pd7  1  0.600  0.000  0.500  1.0
  Pd  Pd8  1  0.000  0.600  0.500  1.0
[/CIF]
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The structure described by PdNiSi crystallizes in the hexagonal P-62m space group. Pd(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Pd(1), two equivalent Ni(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pd(1) and three equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_SiNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   3.474
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.076
_cell_formula_units_Z   3
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
  Si  Si0  1  0.667  0.333  0.000  1.0
  Si  Si1  1  0.333  0.667  0.000  1.0
  Si  Si2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.747  0.747  0.000  1.0
  Ni  Ni4  1  0.253  0.000  0.000  1.0
  Ni  Ni5  1  0.000  0.253  0.000  1.0
  Pd  Pd6  1  0.400  0.400  0.500  1.0
  Pd  Pd7  1  0.600  0.000  0.500  1.0
  Pd  Pd8  1  0.000  0.600  0.500  1.0
[/CIF]
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