data_NbAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs2Pd
_chemical_formula_sum   'Nb1 As2 Pd1'
_cell_volume   66.62
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.64  0.64  0.71  1.0
  As  As1  1  0.64  0.64  0.45  1.0
  Pd  Pd3  1  0.0  0.0  0.08  1.0

data_NbAs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAs2Pd
_chemical_formula_sum   'Nb2 As4 Pd2'
_cell_volume   133.23
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.14  0.5  0.45  1.0
  As  As2  2  0.14  0.5  0.71  1.0
  Pd  Pd3  2  0.0  0.0  0.08  1.0

Nb As As Pd
Nb As As Pd 0 3 o o o 1 2 o o o 
NbPdAs2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a single-bond geometry to one Pd(1) and three equivalent As(1) atoms. The Nb(1)-Pd(1) bond length is 0.51 Å. There is one shorter (2.43 Å) and two longer (3.00 Å) Nb(1)-As(1) bond lengths. Pd(1) is bonded in a single-bond geometry to one Nb(1) and one As(2) atom. The Pd(1)-As(2) bond length is 2.82 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to three equivalent Nb(1) and one As(2) atom. The As(1)-As(2) bond length is 1.60 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Pd(1) and one As(1) atom.