The structure described by Pd5As2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Pd sites. In the first Pd site, Pd(5) is bonded in a 13-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), three equivalent Pd(4), one As(3), and three equivalent As(2) atoms. In the second Pd site, Pd(6) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. In the third Pd site, Pd(1) is bonded in a 13-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), three equivalent Pd(6), one As(1), and three equivalent As(2) atoms. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(3), one Pd(5), three equivalent Pd(4), three equivalent Pd(6), one As(2), one As(3), and two equivalent As(1) atoms. In the fifth Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Pd(2), one Pd(5), two equivalent Pd(1), three equivalent Pd(6), one As(3), and two equivalent As(2) atoms. In the sixth Pd site, Pd(4) is bonded in a 1-coordinate geometry to one Pd(5), one Pd(6), two equivalent Pd(1), three equivalent Pd(2), two equivalent As(1), and three equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Pd(2), one Pd(5), one Pd(6), two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.354
_cell_length_b   7.354
_cell_length_c   13.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   647.109
_cell_formula_units_Z   6
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  0.667  0.333  0.553  1.0
  As  As1  1  0.333  0.667  0.053  1.0
  As  As2  1  0.667  0.333  0.053  1.0
  As  As3  1  0.333  0.667  0.553  1.0
  As  As4  1  0.673  0.673  0.783  1.0
  As  As5  1  0.000  0.327  0.783  1.0
  As  As6  1  0.327  0.327  0.283  1.0
  As  As7  1  0.000  0.673  0.283  1.0
  As  As8  1  0.327  0.000  0.783  1.0
  As  As9  1  0.673  0.000  0.283  1.0
  As  As10  1  0.000  0.000  0.013  1.0
  As  As11  1  0.000  0.000  0.513  1.0
  Pd  Pd12  1  0.667  0.333  0.840  1.0
  Pd  Pd13  1  0.333  0.667  0.340  1.0
  Pd  Pd14  1  0.667  0.333  0.340  1.0
  Pd  Pd15  1  0.333  0.667  0.840  1.0
  Pd  Pd16  1  0.704  0.704  0.589  1.0
  Pd  Pd17  1  0.000  0.296  0.589  1.0
  Pd  Pd18  1  0.296  0.296  0.089  1.0
  Pd  Pd19  1  0.000  0.704  0.089  1.0
  Pd  Pd20  1  0.296  0.000  0.589  1.0
  Pd  Pd21  1  0.704  0.000  0.089  1.0
  Pd  Pd22  1  0.760  0.760  0.382  1.0
  Pd  Pd23  1  0.000  0.240  0.382  1.0
  Pd  Pd24  1  0.240  0.240  0.882  1.0
  Pd  Pd25  1  0.000  0.760  0.882  1.0
  Pd  Pd26  1  0.240  0.000  0.382  1.0
  Pd  Pd27  1  0.760  0.000  0.882  1.0
  Pd  Pd28  1  0.387  0.387  0.694  1.0
  Pd  Pd29  1  0.000  0.613  0.694  1.0
  Pd  Pd30  1  0.613  0.613  0.194  1.0
  Pd  Pd31  1  0.000  0.387  0.194  1.0
  Pd  Pd32  1  0.613  0.000  0.694  1.0
  Pd  Pd33  1  0.387  0.000  0.194  1.0
  Pd  Pd34  1  0.000  0.000  0.716  1.0
  Pd  Pd35  1  0.000  0.000  0.216  1.0
  Pd  Pd36  1  0.602  0.602  0.975  1.0
  Pd  Pd37  1  0.000  0.398  0.975  1.0
  Pd  Pd38  1  0.398  0.398  0.475  1.0
  Pd  Pd39  1  0.000  0.602  0.475  1.0
  Pd  Pd40  1  0.398  0.000  0.975  1.0
  Pd  Pd41  1  0.602  0.000  0.475  1.0
[/CIF]
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The structure described by Pd5As2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Pd sites. In the first Pd site, Pd(5) is bonded in a 13-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), three equivalent Pd(4), one As(3), and three equivalent As(2) atoms. In the second Pd site, Pd(6) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. In the third Pd site, Pd(1) is bonded in a 13-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), three equivalent Pd(6), one As(1), and three equivalent As(2) atoms. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(3), one Pd(5), three equivalent Pd(4), three equivalent Pd(6), one As(2), one As(3), and two equivalent As(1) atoms. In the fifth Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Pd(2), one Pd(5), two equivalent Pd(1), three equivalent Pd(6), one As(3), and two equivalent As(2) atoms. In the sixth Pd site, Pd(4) is bonded in a 1-coordinate geometry to one Pd(5), one Pd(6), two equivalent Pd(1), three equivalent Pd(2), two equivalent As(1), and three equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Pd(2), one Pd(5), one Pd(6), two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.354
_cell_length_b   7.354
_cell_length_c   13.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   647.109
_cell_formula_units_Z   6
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  0.667  0.333  0.553  1.0
  As  As1  1  0.333  0.667  0.053  1.0
  As  As2  1  0.667  0.333  0.053  1.0
  As  As3  1  0.333  0.667  0.553  1.0
  As  As4  1  0.673  0.673  0.783  1.0
  As  As5  1  0.000  0.327  0.783  1.0
  As  As6  1  0.327  0.327  0.283  1.0
  As  As7  1  0.000  0.673  0.283  1.0
  As  As8  1  0.327  0.000  0.783  1.0
  As  As9  1  0.673  0.000  0.283  1.0
  As  As10  1  0.000  0.000  0.013  1.0
  As  As11  1  0.000  0.000  0.513  1.0
  Pd  Pd12  1  0.667  0.333  0.840  1.0
  Pd  Pd13  1  0.333  0.667  0.340  1.0
  Pd  Pd14  1  0.667  0.333  0.340  1.0
  Pd  Pd15  1  0.333  0.667  0.840  1.0
  Pd  Pd16  1  0.704  0.704  0.589  1.0
  Pd  Pd17  1  0.000  0.296  0.589  1.0
  Pd  Pd18  1  0.296  0.296  0.089  1.0
  Pd  Pd19  1  0.000  0.704  0.089  1.0
  Pd  Pd20  1  0.296  0.000  0.589  1.0
  Pd  Pd21  1  0.704  0.000  0.089  1.0
  Pd  Pd22  1  0.760  0.760  0.382  1.0
  Pd  Pd23  1  0.000  0.240  0.382  1.0
  Pd  Pd24  1  0.240  0.240  0.882  1.0
  Pd  Pd25  1  0.000  0.760  0.882  1.0
  Pd  Pd26  1  0.240  0.000  0.382  1.0
  Pd  Pd27  1  0.760  0.000  0.882  1.0
  Pd  Pd28  1  0.387  0.387  0.694  1.0
  Pd  Pd29  1  0.000  0.613  0.694  1.0
  Pd  Pd30  1  0.613  0.613  0.194  1.0
  Pd  Pd31  1  0.000  0.387  0.194  1.0
  Pd  Pd32  1  0.613  0.000  0.694  1.0
  Pd  Pd33  1  0.387  0.000  0.194  1.0
  Pd  Pd34  1  0.000  0.000  0.716  1.0
  Pd  Pd35  1  0.000  0.000  0.216  1.0
  Pd  Pd36  1  0.602  0.602  0.975  1.0
  Pd  Pd37  1  0.000  0.398  0.975  1.0
  Pd  Pd38  1  0.398  0.398  0.475  1.0
  Pd  Pd39  1  0.000  0.602  0.475  1.0
  Pd  Pd40  1  0.398  0.000  0.975  1.0
  Pd  Pd41  1  0.602  0.000  0.475  1.0
[/CIF]
.