data_BaAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs2Pd
_chemical_formula_sum   'Ba1 As2 Pd1'
_cell_volume   96.27
_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
  Ba  Ba2  1  0.24  0.0  0.0  1.0
  As  As0  1  0.62  0.78  0.68  1.0
  As  As1  1  0.62  0.22  0.68  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_BaAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   107.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAs2Pd
_chemical_formula_sum   'Ba1 As2 Pd1'
_cell_volume   96.27
_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
  Ba  Ba0  1  0.0  0.24  0.0  1.0
  As  As1  1  0.68  0.62  0.22  1.0
  As  As2  1  0.68  0.62  0.78  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ba As As Pd
BaPdAs2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 2-coordinate geometry to one Pd(1), one As(2), and two equivalent As(1) atoms. The Ba(1)-Pd(1) bond length is 1.29 Å. The Ba(1)-As(2) bond length is 2.35 Å. There is one shorter (2.94 Å) and one longer (3.54 Å) Ba(1)-As(1) bond length. Pd(1) is bonded in a single-bond geometry to one Ba(1) and two equivalent As(1) atoms. There is one shorter (2.35 Å) and one longer (3.07 Å) Pd(1)-As(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pd(1), and two equivalent As(2) atoms. There is one shorter (2.42 Å) and one longer (3.07 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Ba(1) and two equivalent As(1) atoms.