The material described by Th3Pd4 crystallizes in the trigonal R-3 space group. Th(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), and seven equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to six equivalent Th(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent Th(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent Th(1) and three equivalent Pd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   8.218
_cell_length_c   8.218
_cell_angle_alpha   114.693
_cell_angle_beta   103.542
_cell_angle_gamma   103.542
_symmetry_Int_Tables_number   1
_cell_volume   319.082
_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
  Th  Th0  1  0.406  0.129  0.379  1.0
  Th  Th1  1  0.027  0.621  0.750  1.0
  Th  Th2  1  0.277  0.250  0.871  1.0
  Th  Th3  1  0.594  0.871  0.621  1.0
  Th  Th4  1  0.973  0.379  0.250  1.0
  Th  Th5  1  0.723  0.750  0.129  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.228  0.660  0.163  1.0
  Pd  Pd9  1  0.065  0.837  0.497  1.0
  Pd  Pd10  1  0.568  0.503  0.340  1.0
  Pd  Pd11  1  0.772  0.340  0.837  1.0
  Pd  Pd12  1  0.935  0.163  0.503  1.0
  Pd  Pd13  1  0.432  0.497  0.660  1.0
[/CIF]
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The material described by Th3Pd4 crystallizes in the trigonal R-3 space group. Th(1) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(2), and seven equivalent Pd(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to six equivalent Th(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent Th(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent Th(1) and three equivalent Pd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   8.218
_cell_length_c   8.218
_cell_angle_alpha   114.693
_cell_angle_beta   103.542
_cell_angle_gamma   103.542
_symmetry_Int_Tables_number   1
_cell_volume   319.082
_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
  Th  Th0  1  0.406  0.129  0.379  1.0
  Th  Th1  1  0.027  0.621  0.750  1.0
  Th  Th2  1  0.277  0.250  0.871  1.0
  Th  Th3  1  0.594  0.871  0.621  1.0
  Th  Th4  1  0.973  0.379  0.250  1.0
  Th  Th5  1  0.723  0.750  0.129  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.000  0.000  1.0
  Pd  Pd8  1  0.228  0.660  0.163  1.0
  Pd  Pd9  1  0.065  0.837  0.497  1.0
  Pd  Pd10  1  0.568  0.503  0.340  1.0
  Pd  Pd11  1  0.772  0.340  0.837  1.0
  Pd  Pd12  1  0.935  0.163  0.503  1.0
  Pd  Pd13  1  0.432  0.497  0.660  1.0
[/CIF]
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