The material described by Nb5Pd4As4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and five equivalent As(1) atoms. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent As(1) atoms. Pd(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), five equivalent Pd(1), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb5(AsPd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   93.481
_cell_angle_beta   93.481
_cell_angle_gamma   151.469
_symmetry_Int_Tables_number   1
_cell_volume   215.195
_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  Nb0  1  0.688  0.618  0.306  1.0
  Nb  Nb1  1  0.312  0.382  0.694  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.618  0.312  0.930  1.0
  Nb  Nb4  1  0.382  0.688  0.070  1.0
  As  As5  1  0.756  0.066  0.822  1.0
  As  As6  1  0.244  0.934  0.178  1.0
  As  As7  1  0.934  0.756  0.690  1.0
  As  As8  1  0.066  0.244  0.310  1.0
  Pd  Pd9  1  0.889  0.404  0.292  1.0
  Pd  Pd10  1  0.596  0.889  0.485  1.0
  Pd  Pd11  1  0.111  0.596  0.708  1.0
  Pd  Pd12  1  0.404  0.111  0.515  1.0
[/CIF]
.
The material described by Nb5Pd4As4 crystallizes in the tetragonal I4/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and five equivalent As(1) atoms. In the second Nb site, Nb(2) is bonded in a square co-planar geometry to four equivalent As(1) atoms. Pd(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), five equivalent Pd(1), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to one Nb(2), five equivalent Nb(1), and three equivalent Pd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb5(AsPd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   93.481
_cell_angle_beta   93.481
_cell_angle_gamma   151.469
_symmetry_Int_Tables_number   1
_cell_volume   215.195
_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  Nb0  1  0.688  0.618  0.306  1.0
  Nb  Nb1  1  0.312  0.382  0.694  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.618  0.312  0.930  1.0
  Nb  Nb4  1  0.382  0.688  0.070  1.0
  As  As5  1  0.756  0.066  0.822  1.0
  As  As6  1  0.244  0.934  0.178  1.0
  As  As7  1  0.934  0.756  0.690  1.0
  As  As8  1  0.066  0.244  0.310  1.0
  Pd  Pd9  1  0.889  0.404  0.292  1.0
  Pd  Pd10  1  0.596  0.889  0.485  1.0
  Pd  Pd11  1  0.111  0.596  0.708  1.0
  Pd  Pd12  1  0.404  0.111  0.515  1.0
[/CIF]
.