data_ReAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Pd
_chemical_formula_sum   'Re1 As2 Pd1'
_cell_volume   65.14
_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
  Re  Re3  1  0.73  0.73  0.24  1.0
  As  As0  1  0.0  0.0  0.14  1.0
  As  As1  1  0.73  0.73  0.74  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0

data_ReAs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReAs2Pd
_chemical_formula_sum   'Re2 As4 Pd2'
_cell_volume   130.29
_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
  Re  Re0  2  0.23  0.5  0.24  1.0
  As  As1  2  0.0  0.0  0.14  1.0
  As  As2  2  0.23  0.5  0.74  1.0
  Pd  Pd3  2  0.0  0.0  0.45  1.0

Re As As Pd
Re As As Pd 0 1 + + o 0 3 + + o 1 3 o o o 1 2 - - - 2 3 + + o 
RePdAs2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 2-coordinate geometry to one Pd(1), one As(1), and two equivalent As(2) atoms. The Re(1)-Pd(1) bond length is 1.76 Å. The Re(1)-As(1) bond length is 1.41 Å. There is one shorter (2.68 Å) and one longer (2.75 Å) Re(1)-As(2) bond length. Pd(1) is bonded in a 3-coordinate geometry to one Re(1), one As(1), and three equivalent As(2) atoms. The Pd(1)-As(1) bond length is 1.69 Å. There is one shorter (2.05 Å) and two longer (3.13 Å) Pd(1)-As(2) bond lengths. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Re(1), one Pd(1), and one As(2) atom. The As(1)-As(2) bond length is 2.53 Å. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Re(1), three equivalent Pd(1), and one As(1) atom.