The material described by Pd4As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(2) and four equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_AsPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.489
_cell_length_b   8.489
_cell_length_c   8.489
_cell_angle_alpha   158.975
_cell_angle_beta   158.975
_cell_angle_gamma   29.906
_symmetry_Int_Tables_number   1
_cell_volume   78.702
_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
  As  As0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.409  0.409  0.000  1.0
  Pd  Pd2  1  0.801  0.801  0.000  1.0
  Pd  Pd3  1  0.199  0.199  0.000  1.0
  Pd  Pd4  1  0.591  0.591  0.000  1.0
[/CIF]
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The material described by Pd4As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(2) and four equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent Pd(2) atoms. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_AsPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.489
_cell_length_b   8.489
_cell_length_c   8.489
_cell_angle_alpha   158.975
_cell_angle_beta   158.975
_cell_angle_gamma   29.906
_symmetry_Int_Tables_number   1
_cell_volume   78.702
_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
  As  As0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.409  0.409  0.000  1.0
  Pd  Pd2  1  0.801  0.801  0.000  1.0
  Pd  Pd3  1  0.199  0.199  0.000  1.0
  Pd  Pd4  1  0.591  0.591  0.000  1.0
[/CIF]
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