The crystal structure described by Pd3As crystallizes in the tetragonal I-4 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to five equivalent Pd(3) and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to three equivalent Pd(3) and four equivalent As(1) atoms. In the third Pd site, Pd(3) is bonded in a 13-coordinate geometry to two equivalent Pd(3), three equivalent Pd(2), five equivalent Pd(1), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Pd(1), three equivalent Pd(3), and four equivalent Pd(2) atoms. is represented by the CIF file [CIF]
data_AsPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.848
_cell_length_b   7.522
_cell_length_c   7.522
_cell_angle_alpha   84.040
_cell_angle_beta   71.201
_cell_angle_gamma   71.201
_symmetry_Int_Tables_number   1
_cell_volume   245.809
_cell_formula_units_Z   4
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
  As  As0  1  0.938  0.324  0.761  1.0
  As  As1  1  0.024  0.676  0.239  1.0
  As  As2  1  0.738  0.239  0.324  1.0
  As  As3  1  0.301  0.761  0.676  1.0
  Pd  Pd4  1  0.627  0.188  0.034  1.0
  Pd  Pd5  1  0.850  0.812  0.966  1.0
  Pd  Pd6  1  0.185  0.966  0.188  1.0
  Pd  Pd7  1  0.338  0.034  0.812  1.0
  Pd  Pd8  1  0.510  0.604  0.334  1.0
  Pd  Pd9  1  0.448  0.396  0.666  1.0
  Pd  Pd10  1  0.886  0.666  0.604  1.0
  Pd  Pd11  1  0.156  0.334  0.396  1.0
  Pd  Pd12  1  0.474  0.606  0.953  1.0
  Pd  Pd13  1  0.033  0.394  0.047  1.0
  Pd  Pd14  1  0.920  0.047  0.606  1.0
  Pd  Pd15  1  0.573  0.953  0.394  1.0
[/CIF]
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The crystal structure described by Pd3As crystallizes in the tetragonal I-4 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to five equivalent Pd(3) and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to three equivalent Pd(3) and four equivalent As(1) atoms. In the third Pd site, Pd(3) is bonded in a 13-coordinate geometry to two equivalent Pd(3), three equivalent Pd(2), five equivalent Pd(1), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Pd(1), three equivalent Pd(3), and four equivalent Pd(2) atoms. is represented by the CIF file [CIF]
data_AsPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.848
_cell_length_b   7.522
_cell_length_c   7.522
_cell_angle_alpha   84.040
_cell_angle_beta   71.201
_cell_angle_gamma   71.201
_symmetry_Int_Tables_number   1
_cell_volume   245.809
_cell_formula_units_Z   4
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
  As  As0  1  0.938  0.324  0.761  1.0
  As  As1  1  0.024  0.676  0.239  1.0
  As  As2  1  0.738  0.239  0.324  1.0
  As  As3  1  0.301  0.761  0.676  1.0
  Pd  Pd4  1  0.627  0.188  0.034  1.0
  Pd  Pd5  1  0.850  0.812  0.966  1.0
  Pd  Pd6  1  0.185  0.966  0.188  1.0
  Pd  Pd7  1  0.338  0.034  0.812  1.0
  Pd  Pd8  1  0.510  0.604  0.334  1.0
  Pd  Pd9  1  0.448  0.396  0.666  1.0
  Pd  Pd10  1  0.886  0.666  0.604  1.0
  Pd  Pd11  1  0.156  0.334  0.396  1.0
  Pd  Pd12  1  0.474  0.606  0.953  1.0
  Pd  Pd13  1  0.033  0.394  0.047  1.0
  Pd  Pd14  1  0.920  0.047  0.606  1.0
  Pd  Pd15  1  0.573  0.953  0.394  1.0
[/CIF]
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