data_HfScPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.2
_cell_angle_alpha   91.54
_cell_angle_beta   91.54
_cell_angle_gamma   93.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScPd2
_chemical_formula_sum   'Hf1 Sc1 Pd2'
_cell_volume   72.63
_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
  Hf  Hf0  1  0.27  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.57  0.26  0.6  1.0
  Pd  Pd2  1  0.57  0.74  0.6  1.0

data_HfScPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   93.42
_cell_angle_beta   91.54
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScPd2
_chemical_formula_sum   'Hf1 Sc1 Pd2'
_cell_volume   72.63
_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
  Hf  Hf0  1  0.0  0.27  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.6  0.57  0.26  1.0
  Pd  Pd3  1  0.6  0.57  0.74  1.0

Hf Sc Pd Pd
ScHfPd2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 5-coordinate geometry to one Hf(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. The Sc(1)-Hf(1) bond length is 1.29 Å. There is one shorter (2.77 Å) and one longer (3.14 Å) Sc(1)-Pd(1) bond length. There is one shorter (2.62 Å) and one longer (3.08 Å) Sc(1)-Pd(2) bond length. Hf(1) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. There is one shorter (2.30 Å) and one longer (2.62 Å) Hf(1)-Pd(1) bond length. There is one shorter (2.35 Å) and one longer (2.75 Å) Hf(1)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Hf(1), and two equivalent Pd(2) atoms. There is one shorter (2.24 Å) and one longer (2.52 Å) Pd(1)-Pd(2) bond length. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Hf(1), and two equivalent Pd(1) atoms.