data_ZrBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBPd2
_chemical_formula_sum   'Zr1 B1 Pd2'
_cell_volume   61.59
_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
  Zr  Zr3  1  0.45  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.45  0.33  0.55  1.0
  Pd  Pd2  1  0.45  0.67  0.55  1.0

data_ZrBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   117.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBPd2
_chemical_formula_sum   'Zr1 B1 Pd2'
_cell_volume   61.59
_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
  Zr  Zr0  1  0.0  0.45  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.55  0.45  0.33  1.0
  Pd  Pd3  1  0.55  0.45  0.67  1.0

Zr B Pd Pd
ZrPd2B is Krennerite-derived structured and crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent B(1) atoms. There is one shorter (2.10 Å) and one longer (2.29 Å) Zr(1)-Pd(1) bond length. There is one shorter (2.10 Å) and one longer (2.29 Å) Zr(1)-Pd(2) bond length. There is one shorter (2.16 Å) and one longer (2.59 Å) Zr(1)-B(1) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to two equivalent Zr(1), one Pd(2), and two equivalent B(1) atoms. The Pd(1)-Pd(2) bond length is 1.63 Å. There is one shorter (2.43 Å) and one longer (2.61 Å) Pd(1)-B(1) bond length. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to two equivalent Zr(1), one Pd(1), and two equivalent B(1) atoms. There is one shorter (2.71 Å) and one longer (2.87 Å) Pd(2)-B(1) bond length. B(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Pd(1), and two equivalent Pd(2) atoms.