The material described by Pd5PbAs4 crystallizes in the triclinic P1 space group. There are ten inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Pd(10), one Pd(2), one Pd(8), one Pb(2), one As(1), one As(2), one As(3), one As(7), and one As(8) atom. In the second Pd site, Pd(2) is bonded to one Pd(1), one Pb(1), one Pb(2), one As(1), one As(2), one As(3), and one As(8) atom to form distorted corner-sharing PdAs4PdPb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to one Pb(1), one As(1), one As(2), one As(3), one As(4), and one As(8) atom. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to one Pd(5), one Pd(7), one Pb(1), one As(2), one As(3), one As(4), one As(5), and one As(6) atom. In the fifth Pd site, Pd(5) is bonded in a 5-coordinate geometry to one Pd(4), one Pb(1), one As(1), one As(2), one As(3), one As(4), and one As(5) atom. In the sixth Pd site, Pd(6) is bonded to one Pd(7), one Pd(9), one Pb(1), one Pb(2), one As(4), one As(5), one As(6), and one As(7) atom to form distorted corner-sharing PdAs4Pd2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the seventh Pd site, Pd(7) is bonded in a 8-coordinate geometry to one Pd(4), one Pd(6), one Pb(1), one As(3), one As(4), one As(5), one As(6), and one As(7) atom. In the eighth Pd site, Pd(8) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(10), one Pd(9), one Pb(2), one As(1), one As(5), one As(6), one As(7), and one As(8) atom. In the ninth Pd site, Pd(9) is bonded in a 8-coordinate geometry to one Pd(6), one Pd(8), one Pb(2), one As(4), one As(5), one As(6), one As(7), and one As(8) atom. In the tenth Pd site, Pd(10) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(8), one Pb(2), one As(1), one As(2), one As(6), one As(7), and one As(8) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one Pd(2), one Pd(3), one Pd(4), one Pd(5), one Pd(6), and one Pd(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(6), one Pd(8), and one Pd(9) atom. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(5), and one Pd(8) atom. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(4), and one Pd(5) atom. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(4), one Pd(5), and one Pd(7) atom. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Pd(3), one Pd(4), one Pd(5), one Pd(6), one Pd(7), and one Pd(9) atom. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Pd(4), one Pd(5), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Pd(10), one Pd(4), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(8), and one Pd(9) atom. is represented by the CIF card [CIF]
data_As4Pd5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.723
_cell_length_b   6.816
_cell_length_c   6.883
_cell_angle_alpha   60.104
_cell_angle_beta   55.623
_cell_angle_gamma   29.595
_symmetry_Int_Tables_number   1
_cell_volume   377.125
_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  0.060  0.311  0.721  1.0
  As  As1  1  0.140  0.684  0.280  1.0
  As  As2  1  0.243  0.350  0.780  1.0
  As  As3  1  0.453  0.353  0.732  1.0
  As  As4  1  0.561  0.664  0.214  1.0
  As  As5  1  0.643  0.331  0.778  1.0
  As  As6  1  0.740  0.659  0.284  1.0
  As  As7  1  0.951  0.654  0.232  1.0
  Pd  Pd8  1  0.999  0.034  0.015  1.0
  Pd  Pd9  1  0.103  0.990  0.502  1.0
  Pd  Pd10  1  0.196  0.989  0.987  1.0
  Pd  Pd11  1  0.382  0.104  0.996  1.0
  Pd  Pd12  1  0.322  0.010  0.501  1.0
  Pd  Pd13  1  0.600  0.998  0.009  1.0
  Pd  Pd14  1  0.499  0.953  0.514  1.0
  Pd  Pd15  1  0.822  0.881  0.996  1.0
  Pd  Pd16  1  0.693  0.060  0.488  1.0
  Pd  Pd17  1  0.884  0.984  0.504  1.0
  Pb  Pb18  1  0.348  0.690  0.253  1.0
  Pb  Pb19  1  0.850  0.311  0.753  1.0
[/CIF]
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The material described by Pd5PbAs4 crystallizes in the triclinic P1 space group. There are ten inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to one Pd(10), one Pd(2), one Pd(8), one Pb(2), one As(1), one As(2), one As(3), one As(7), and one As(8) atom. In the second Pd site, Pd(2) is bonded to one Pd(1), one Pb(1), one Pb(2), one As(1), one As(2), one As(3), and one As(8) atom to form distorted corner-sharing PdAs4PdPb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to one Pb(1), one As(1), one As(2), one As(3), one As(4), and one As(8) atom. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to one Pd(5), one Pd(7), one Pb(1), one As(2), one As(3), one As(4), one As(5), and one As(6) atom. In the fifth Pd site, Pd(5) is bonded in a 5-coordinate geometry to one Pd(4), one Pb(1), one As(1), one As(2), one As(3), one As(4), and one As(5) atom. In the sixth Pd site, Pd(6) is bonded to one Pd(7), one Pd(9), one Pb(1), one Pb(2), one As(4), one As(5), one As(6), and one As(7) atom to form distorted corner-sharing PdAs4Pd2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the seventh Pd site, Pd(7) is bonded in a 8-coordinate geometry to one Pd(4), one Pd(6), one Pb(1), one As(3), one As(4), one As(5), one As(6), and one As(7) atom. In the eighth Pd site, Pd(8) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(10), one Pd(9), one Pb(2), one As(1), one As(5), one As(6), one As(7), and one As(8) atom. In the ninth Pd site, Pd(9) is bonded in a 8-coordinate geometry to one Pd(6), one Pd(8), one Pb(2), one As(4), one As(5), one As(6), one As(7), and one As(8) atom. In the tenth Pd site, Pd(10) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(8), one Pb(2), one As(1), one As(2), one As(6), one As(7), and one As(8) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one Pd(2), one Pd(3), one Pd(4), one Pd(5), one Pd(6), and one Pd(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(6), one Pd(8), and one Pd(9) atom. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(5), and one Pd(8) atom. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(4), and one Pd(5) atom. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(4), one Pd(5), and one Pd(7) atom. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Pd(3), one Pd(4), one Pd(5), one Pd(6), one Pd(7), and one Pd(9) atom. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Pd(4), one Pd(5), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Pd(10), one Pd(4), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(6), one Pd(7), one Pd(8), and one Pd(9) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(10), one Pd(2), one Pd(3), one Pd(8), and one Pd(9) atom. is represented by the CIF card [CIF]
data_As4Pd5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.723
_cell_length_b   6.816
_cell_length_c   6.883
_cell_angle_alpha   60.104
_cell_angle_beta   55.623
_cell_angle_gamma   29.595
_symmetry_Int_Tables_number   1
_cell_volume   377.125
_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  0.060  0.311  0.721  1.0
  As  As1  1  0.140  0.684  0.280  1.0
  As  As2  1  0.243  0.350  0.780  1.0
  As  As3  1  0.453  0.353  0.732  1.0
  As  As4  1  0.561  0.664  0.214  1.0
  As  As5  1  0.643  0.331  0.778  1.0
  As  As6  1  0.740  0.659  0.284  1.0
  As  As7  1  0.951  0.654  0.232  1.0
  Pd  Pd8  1  0.999  0.034  0.015  1.0
  Pd  Pd9  1  0.103  0.990  0.502  1.0
  Pd  Pd10  1  0.196  0.989  0.987  1.0
  Pd  Pd11  1  0.382  0.104  0.996  1.0
  Pd  Pd12  1  0.322  0.010  0.501  1.0
  Pd  Pd13  1  0.600  0.998  0.009  1.0
  Pd  Pd14  1  0.499  0.953  0.514  1.0
  Pd  Pd15  1  0.822  0.881  0.996  1.0
  Pd  Pd16  1  0.693  0.060  0.488  1.0
  Pd  Pd17  1  0.884  0.984  0.504  1.0
  Pb  Pb18  1  0.348  0.690  0.253  1.0
  Pb  Pb19  1  0.850  0.311  0.753  1.0
[/CIF]
.