The material described by Pd20Te7 crystallizes in the trigonal R-3 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(4) is bonded in a 3-coordinate geometry to one Pd(1), two equivalent Pd(3), and three equivalent Te(2) atoms. In the second Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Te(2) atoms. In the third Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Pd(1), four equivalent Pd(3), one Te(1), and two equivalent Te(2) atoms. In the fourth Pd site, Pd(3) is bonded in a 12-coordinate geometry to two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(2), one Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a cuboctahedral geometry to six equivalent Pd(2) and six equivalent Pd(3) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te7Pd20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   99.002
_cell_angle_beta   99.002
_cell_angle_gamma   99.002
_symmetry_Int_Tables_number   1
_cell_volume   465.010
_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  0.000  0.000  0.000  1.0
  Te  Te1  1  0.881  0.454  0.723  1.0
  Te  Te2  1  0.723  0.881  0.454  1.0
  Te  Te3  1  0.454  0.723  0.881  1.0
  Te  Te4  1  0.119  0.546  0.277  1.0
  Te  Te5  1  0.277  0.119  0.546  1.0
  Te  Te6  1  0.546  0.277  0.119  1.0
  Pd  Pd7  1  0.380  0.380  0.380  1.0
  Pd  Pd8  1  0.620  0.620  0.620  1.0
  Pd  Pd9  1  0.329  0.012  0.220  1.0
  Pd  Pd10  1  0.220  0.329  0.012  1.0
  Pd  Pd11  1  0.012  0.220  0.329  1.0
  Pd  Pd12  1  0.671  0.988  0.780  1.0
  Pd  Pd13  1  0.780  0.671  0.988  1.0
  Pd  Pd14  1  0.988  0.780  0.671  1.0
  Pd  Pd15  1  0.144  0.683  0.988  1.0
  Pd  Pd16  1  0.988  0.144  0.683  1.0
  Pd  Pd17  1  0.683  0.988  0.144  1.0
  Pd  Pd18  1  0.856  0.317  0.012  1.0
  Pd  Pd19  1  0.012  0.856  0.317  1.0
  Pd  Pd20  1  0.317  0.012  0.856  1.0
  Pd  Pd21  1  0.683  0.223  0.457  1.0
  Pd  Pd22  1  0.457  0.683  0.223  1.0
  Pd  Pd23  1  0.223  0.457  0.683  1.0
  Pd  Pd24  1  0.317  0.777  0.543  1.0
  Pd  Pd25  1  0.543  0.317  0.777  1.0
  Pd  Pd26  1  0.777  0.543  0.317  1.0
[/CIF]
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The material described by Pd20Te7 crystallizes in the trigonal R-3 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(4) is bonded in a 3-coordinate geometry to one Pd(1), two equivalent Pd(3), and three equivalent Te(2) atoms. In the second Pd site, Pd(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Te(2) atoms. In the third Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Pd(1), four equivalent Pd(3), one Te(1), and two equivalent Te(2) atoms. In the fourth Pd site, Pd(3) is bonded in a 12-coordinate geometry to two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(2), one Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a cuboctahedral geometry to six equivalent Pd(2) and six equivalent Pd(3) atoms. In the second Te site, Te(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te7Pd20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   99.002
_cell_angle_beta   99.002
_cell_angle_gamma   99.002
_symmetry_Int_Tables_number   1
_cell_volume   465.010
_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  0.000  0.000  0.000  1.0
  Te  Te1  1  0.881  0.454  0.723  1.0
  Te  Te2  1  0.723  0.881  0.454  1.0
  Te  Te3  1  0.454  0.723  0.881  1.0
  Te  Te4  1  0.119  0.546  0.277  1.0
  Te  Te5  1  0.277  0.119  0.546  1.0
  Te  Te6  1  0.546  0.277  0.119  1.0
  Pd  Pd7  1  0.380  0.380  0.380  1.0
  Pd  Pd8  1  0.620  0.620  0.620  1.0
  Pd  Pd9  1  0.329  0.012  0.220  1.0
  Pd  Pd10  1  0.220  0.329  0.012  1.0
  Pd  Pd11  1  0.012  0.220  0.329  1.0
  Pd  Pd12  1  0.671  0.988  0.780  1.0
  Pd  Pd13  1  0.780  0.671  0.988  1.0
  Pd  Pd14  1  0.988  0.780  0.671  1.0
  Pd  Pd15  1  0.144  0.683  0.988  1.0
  Pd  Pd16  1  0.988  0.144  0.683  1.0
  Pd  Pd17  1  0.683  0.988  0.144  1.0
  Pd  Pd18  1  0.856  0.317  0.012  1.0
  Pd  Pd19  1  0.012  0.856  0.317  1.0
  Pd  Pd20  1  0.317  0.012  0.856  1.0
  Pd  Pd21  1  0.683  0.223  0.457  1.0
  Pd  Pd22  1  0.457  0.683  0.223  1.0
  Pd  Pd23  1  0.223  0.457  0.683  1.0
  Pd  Pd24  1  0.317  0.777  0.543  1.0
  Pd  Pd25  1  0.543  0.317  0.777  1.0
  Pd  Pd26  1  0.777  0.543  0.317  1.0
[/CIF]
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