The compound described by Pd3Pb2As crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to three equivalent Pb(1) and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to four equivalent Pb(1) and two equivalent As(1) atoms. Pb(1) is bonded in a 5-coordinate geometry to two equivalent Pd(2) and three equivalent Pd(1) atoms. As(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2) and four equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_AsPd3Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   6.928
_cell_length_c   6.928
_cell_angle_alpha   120.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.982
_cell_formula_units_Z   2
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  0.705  0.705  0.705  1.0
  As  As1  1  0.205  0.295  0.295  1.0
  Pd  Pd2  1  0.998  0.667  0.425  1.0
  Pd  Pd3  1  0.498  0.333  0.575  1.0
  Pd  Pd4  1  0.020  0.948  0.948  1.0
  Pd  Pd5  1  0.520  0.052  0.052  1.0
  Pd  Pd6  1  0.998  0.425  0.667  1.0
  Pd  Pd7  1  0.498  0.575  0.333  1.0
  Pb  Pb8  1  0.310  0.013  0.657  1.0
  Pb  Pb9  1  0.810  0.987  0.343  1.0
  Pb  Pb10  1  0.810  0.343  0.987  1.0
  Pb  Pb11  1  0.310  0.657  0.013  1.0
[/CIF]
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The compound described by Pd3Pb2As crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to three equivalent Pb(1) and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to four equivalent Pb(1) and two equivalent As(1) atoms. Pb(1) is bonded in a 5-coordinate geometry to two equivalent Pd(2) and three equivalent Pd(1) atoms. As(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2) and four equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_AsPd3Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   6.928
_cell_length_c   6.928
_cell_angle_alpha   120.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.982
_cell_formula_units_Z   2
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  0.705  0.705  0.705  1.0
  As  As1  1  0.205  0.295  0.295  1.0
  Pd  Pd2  1  0.998  0.667  0.425  1.0
  Pd  Pd3  1  0.498  0.333  0.575  1.0
  Pd  Pd4  1  0.020  0.948  0.948  1.0
  Pd  Pd5  1  0.520  0.052  0.052  1.0
  Pd  Pd6  1  0.998  0.425  0.667  1.0
  Pd  Pd7  1  0.498  0.575  0.333  1.0
  Pb  Pb8  1  0.310  0.013  0.657  1.0
  Pb  Pb9  1  0.810  0.987  0.343  1.0
  Pb  Pb10  1  0.810  0.343  0.987  1.0
  Pb  Pb11  1  0.310  0.657  0.013  1.0
[/CIF]
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