The material structure described by Pd4PbAs3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), one Pb(1), two equivalent As(1), and three equivalent As(2) atoms. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1), two equivalent Pb(1), one As(1), and three equivalent As(2) atoms. Pb(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1) and four equivalent Pd(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2) and four equivalent Pd(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_As3Pd4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   7.130
_cell_length_c   6.277
_cell_angle_alpha   63.886
_cell_angle_beta   89.987
_cell_angle_gamma   106.016
_symmetry_Int_Tables_number   1
_cell_volume   150.505
_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  0.375  0.750  0.941  1.0
  As  As1  1  0.166  0.333  0.503  1.0
  As  As2  1  0.584  0.167  0.085  1.0
  Pd  Pd3  1  0.751  0.503  0.178  1.0
  Pd  Pd4  1  0.219  0.438  0.846  1.0
  Pd  Pd5  1  0.531  0.062  0.534  1.0
  Pd  Pd6  1  0.998  0.997  0.931  1.0
  Pb  Pb7  1  0.876  0.750  0.482  1.0
[/CIF]
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The material structure described by Pd4PbAs3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), one Pb(1), two equivalent As(1), and three equivalent As(2) atoms. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1), two equivalent Pb(1), one As(1), and three equivalent As(2) atoms. Pb(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1) and four equivalent Pd(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2) and four equivalent Pd(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_As3Pd4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   7.130
_cell_length_c   6.277
_cell_angle_alpha   63.886
_cell_angle_beta   89.987
_cell_angle_gamma   106.016
_symmetry_Int_Tables_number   1
_cell_volume   150.505
_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  0.375  0.750  0.941  1.0
  As  As1  1  0.166  0.333  0.503  1.0
  As  As2  1  0.584  0.167  0.085  1.0
  Pd  Pd3  1  0.751  0.503  0.178  1.0
  Pd  Pd4  1  0.219  0.438  0.846  1.0
  Pd  Pd5  1  0.531  0.062  0.534  1.0
  Pd  Pd6  1  0.998  0.997  0.931  1.0
  Pb  Pb7  1  0.876  0.750  0.482  1.0
[/CIF]
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