The material structure described by Pd21Te5 crystallizes in the cubic F-43m space group. There are five inequivalent Pd sites. In the first Pd site, Pd(4) is bonded in a 11-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(3), one Te(1), and two equivalent Te(2) atoms. In the second Pd site, Pd(5) is bonded in a 10-coordinate geometry to four equivalent Pd(2) and six equivalent Pd(3) atoms. In the third Pd site, Pd(1) is bonded in a 10-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), one Te(1), and three equivalent Te(2) atoms. In the fourth Pd site, Pd(2) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(3), three equivalent Pd(4), and three equivalent Te(2) atoms. In the fifth Pd site, Pd(3) is bonded in a 11-coordinate geometry to one Pd(5), two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(4), and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Pd(1) and six equivalent Pd(4) atoms to form distorted edge-sharing TePd10 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms to form distorted TePd12 cuboctahedra that share edges with three equivalent Te(1)Pd10 tetrahedra and faces with six equivalent Te(2)Pd12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.882
_cell_length_b   8.882
_cell_length_c   8.882
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   495.507
_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
  Te  Te0  1  0.250  0.250  0.250  1.0
  Te  Te1  1  0.625  0.625  0.124  1.0
  Te  Te2  1  0.625  0.124  0.625  1.0
  Te  Te3  1  0.124  0.625  0.625  1.0
  Te  Te4  1  0.625  0.625  0.625  1.0
  Pd  Pd5  1  0.370  0.370  0.889  1.0
  Pd  Pd6  1  0.370  0.889  0.370  1.0
  Pd  Pd7  1  0.889  0.370  0.370  1.0
  Pd  Pd8  1  0.370  0.370  0.370  1.0
  Pd  Pd9  1  0.876  0.876  0.373  1.0
  Pd  Pd10  1  0.876  0.373  0.876  1.0
  Pd  Pd11  1  0.373  0.876  0.876  1.0
  Pd  Pd12  1  0.876  0.876  0.876  1.0
  Pd  Pd13  1  0.248  0.248  0.752  1.0
  Pd  Pd14  1  0.752  0.248  0.752  1.0
  Pd  Pd15  1  0.248  0.752  0.752  1.0
  Pd  Pd16  1  0.752  0.752  0.248  1.0
  Pd  Pd17  1  0.248  0.752  0.248  1.0
  Pd  Pd18  1  0.752  0.248  0.248  1.0
  Pd  Pd19  1  0.999  0.999  0.501  1.0
  Pd  Pd20  1  0.501  0.999  0.501  1.0
  Pd  Pd21  1  0.999  0.501  0.501  1.0
  Pd  Pd22  1  0.501  0.501  0.999  1.0
  Pd  Pd23  1  0.999  0.501  0.999  1.0
  Pd  Pd24  1  0.501  0.999  0.999  1.0
  Pd  Pd25  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Pd21Te5 crystallizes in the cubic F-43m space group. There are five inequivalent Pd sites. In the first Pd site, Pd(4) is bonded in a 11-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(3), one Te(1), and two equivalent Te(2) atoms. In the second Pd site, Pd(5) is bonded in a 10-coordinate geometry to four equivalent Pd(2) and six equivalent Pd(3) atoms. In the third Pd site, Pd(1) is bonded in a 10-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), one Te(1), and three equivalent Te(2) atoms. In the fourth Pd site, Pd(2) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(3), three equivalent Pd(4), and three equivalent Te(2) atoms. In the fifth Pd site, Pd(3) is bonded in a 11-coordinate geometry to one Pd(5), two equivalent Pd(1), two equivalent Pd(2), four equivalent Pd(4), and two equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Pd(1) and six equivalent Pd(4) atoms to form distorted edge-sharing TePd10 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms to form distorted TePd12 cuboctahedra that share edges with three equivalent Te(1)Pd10 tetrahedra and faces with six equivalent Te(2)Pd12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.882
_cell_length_b   8.882
_cell_length_c   8.882
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   495.507
_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
  Te  Te0  1  0.250  0.250  0.250  1.0
  Te  Te1  1  0.625  0.625  0.124  1.0
  Te  Te2  1  0.625  0.124  0.625  1.0
  Te  Te3  1  0.124  0.625  0.625  1.0
  Te  Te4  1  0.625  0.625  0.625  1.0
  Pd  Pd5  1  0.370  0.370  0.889  1.0
  Pd  Pd6  1  0.370  0.889  0.370  1.0
  Pd  Pd7  1  0.889  0.370  0.370  1.0
  Pd  Pd8  1  0.370  0.370  0.370  1.0
  Pd  Pd9  1  0.876  0.876  0.373  1.0
  Pd  Pd10  1  0.876  0.373  0.876  1.0
  Pd  Pd11  1  0.373  0.876  0.876  1.0
  Pd  Pd12  1  0.876  0.876  0.876  1.0
  Pd  Pd13  1  0.248  0.248  0.752  1.0
  Pd  Pd14  1  0.752  0.248  0.752  1.0
  Pd  Pd15  1  0.248  0.752  0.752  1.0
  Pd  Pd16  1  0.752  0.752  0.248  1.0
  Pd  Pd17  1  0.248  0.752  0.248  1.0
  Pd  Pd18  1  0.752  0.248  0.248  1.0
  Pd  Pd19  1  0.999  0.999  0.501  1.0
  Pd  Pd20  1  0.501  0.999  0.501  1.0
  Pd  Pd21  1  0.999  0.501  0.501  1.0
  Pd  Pd22  1  0.501  0.501  0.999  1.0
  Pd  Pd23  1  0.999  0.501  0.999  1.0
  Pd  Pd24  1  0.501  0.999  0.999  1.0
  Pd  Pd25  1  0.000  0.000  0.000  1.0
[/CIF]
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