The material described by Pd13Tl9 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted linear geometry to six equivalent Pd(4), two equivalent Tl(1), and six equivalent Tl(3) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(3) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(3) atoms. In the fourth Pd site, Pd(4) is bonded in a 6-coordinate geometry to one Pd(1), one Tl(1), one Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms. In the third Tl site, Tl(3) is bonded in a 8-coordinate geometry to one Pd(1), two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(4) atoms. is represented by the CIF file [CIF]
data_Tl9Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.070
_cell_length_b   9.070
_cell_length_c   5.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   407.707
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Tl  Tl1  1  0.333  0.667  0.749  1.0
  Tl  Tl2  1  0.667  0.333  0.251  1.0
  Tl  Tl3  1  0.193  0.807  0.246  1.0
  Tl  Tl4  1  0.193  0.385  0.246  1.0
  Tl  Tl5  1  0.615  0.807  0.246  1.0
  Tl  Tl6  1  0.385  0.193  0.754  1.0
  Tl  Tl7  1  0.807  0.615  0.754  1.0
  Tl  Tl8  1  0.807  0.193  0.754  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Pd  Pd10  1  0.500  0.000  0.000  1.0
  Pd  Pd11  1  0.000  0.500  0.000  1.0
  Pd  Pd12  1  0.500  0.500  0.000  1.0
  Pd  Pd13  1  0.500  0.000  0.500  1.0
  Pd  Pd14  1  0.000  0.500  0.500  1.0
  Pd  Pd15  1  0.500  0.500  0.500  1.0
  Pd  Pd16  1  0.159  0.841  0.753  1.0
  Pd  Pd17  1  0.159  0.318  0.753  1.0
  Pd  Pd18  1  0.682  0.841  0.753  1.0
  Pd  Pd19  1  0.318  0.159  0.247  1.0
  Pd  Pd20  1  0.841  0.682  0.247  1.0
  Pd  Pd21  1  0.841  0.159  0.247  1.0
[/CIF]
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The material described by Pd13Tl9 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted linear geometry to six equivalent Pd(4), two equivalent Tl(1), and six equivalent Tl(3) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(3) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(3) atoms. In the fourth Pd site, Pd(4) is bonded in a 6-coordinate geometry to one Pd(1), one Tl(1), one Tl(2), and four equivalent Tl(3) atoms. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms. In the third Tl site, Tl(3) is bonded in a 8-coordinate geometry to one Pd(1), two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(4) atoms. is represented by the CIF file [CIF]
data_Tl9Pd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.070
_cell_length_b   9.070
_cell_length_c   5.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   407.707
_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
  Tl  Tl0  1  0.000  0.000  0.500  1.0
  Tl  Tl1  1  0.333  0.667  0.749  1.0
  Tl  Tl2  1  0.667  0.333  0.251  1.0
  Tl  Tl3  1  0.193  0.807  0.246  1.0
  Tl  Tl4  1  0.193  0.385  0.246  1.0
  Tl  Tl5  1  0.615  0.807  0.246  1.0
  Tl  Tl6  1  0.385  0.193  0.754  1.0
  Tl  Tl7  1  0.807  0.615  0.754  1.0
  Tl  Tl8  1  0.807  0.193  0.754  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Pd  Pd10  1  0.500  0.000  0.000  1.0
  Pd  Pd11  1  0.000  0.500  0.000  1.0
  Pd  Pd12  1  0.500  0.500  0.000  1.0
  Pd  Pd13  1  0.500  0.000  0.500  1.0
  Pd  Pd14  1  0.000  0.500  0.500  1.0
  Pd  Pd15  1  0.500  0.500  0.500  1.0
  Pd  Pd16  1  0.159  0.841  0.753  1.0
  Pd  Pd17  1  0.159  0.318  0.753  1.0
  Pd  Pd18  1  0.682  0.841  0.753  1.0
  Pd  Pd19  1  0.318  0.159  0.247  1.0
  Pd  Pd20  1  0.841  0.682  0.247  1.0
  Pd  Pd21  1  0.841  0.159  0.247  1.0
[/CIF]
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