data_NiB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB2Pd
_chemical_formula_sum   'Ni1 B2 Pd1'
_cell_volume   38.04
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.87  0.0  0.35  1.0
  B  B1  1  0.0  0.87  0.35  1.0
  Pd  Pd3  1  0.87  0.87  0.0  1.0

data_NiB2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiB2Pd
_chemical_formula_sum   'Ni2 B4 Pd2'
_cell_volume   76.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  B  B1  4  0.44  0.44  0.35  1.0
  Pd  Pd2  2  0.37  0.5  -0.0  1.0

Ni B B Pd
PdNi(B)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two 14452-61-0 molecules and two PdNi clusters. In each PdNi cluster, Pd(1) is bonded in a single-bond geometry to one Ni(1) atom. The Pd(1)-Ni(1) bond length is 0.67 Å. Ni(1) is bonded in a single-bond geometry to one Pd(1) atom.