The compound described by Yb3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. Yb(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 6-coordinate geometry to six equivalent Yb(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted octahedral geometry to six equivalent Yb(1) atoms. In the third Pd site, Pd(3) is bonded in a 7-coordinate geometry to seven equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_Yb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.710
_cell_length_b   7.523
_cell_length_c   7.523
_cell_angle_alpha   113.826
_cell_angle_beta   104.657
_cell_angle_gamma   104.657
_symmetry_Int_Tables_number   1
_cell_volume   261.955
_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
  Yb  Yb0  1  0.390  0.132  0.391  1.0
  Yb  Yb1  1  0.999  0.609  0.741  1.0
  Yb  Yb2  1  0.258  0.259  0.868  1.0
  Yb  Yb3  1  0.610  0.868  0.609  1.0
  Yb  Yb4  1  0.001  0.391  0.259  1.0
  Yb  Yb5  1  0.742  0.741  0.132  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  0.253  0.694  0.155  1.0
  Pd  Pd9  1  0.098  0.845  0.540  1.0
  Pd  Pd10  1  0.559  0.460  0.306  1.0
  Pd  Pd11  1  0.747  0.306  0.845  1.0
  Pd  Pd12  1  0.902  0.155  0.460  1.0
  Pd  Pd13  1  0.441  0.540  0.694  1.0
[/CIF]
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The compound described by Yb3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. Yb(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 6-coordinate geometry to six equivalent Yb(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted octahedral geometry to six equivalent Yb(1) atoms. In the third Pd site, Pd(3) is bonded in a 7-coordinate geometry to seven equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_Yb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.710
_cell_length_b   7.523
_cell_length_c   7.523
_cell_angle_alpha   113.826
_cell_angle_beta   104.657
_cell_angle_gamma   104.657
_symmetry_Int_Tables_number   1
_cell_volume   261.955
_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
  Yb  Yb0  1  0.390  0.132  0.391  1.0
  Yb  Yb1  1  0.999  0.609  0.741  1.0
  Yb  Yb2  1  0.258  0.259  0.868  1.0
  Yb  Yb3  1  0.610  0.868  0.609  1.0
  Yb  Yb4  1  0.001  0.391  0.259  1.0
  Yb  Yb5  1  0.742  0.741  0.132  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  0.253  0.694  0.155  1.0
  Pd  Pd9  1  0.098  0.845  0.540  1.0
  Pd  Pd10  1  0.559  0.460  0.306  1.0
  Pd  Pd11  1  0.747  0.306  0.845  1.0
  Pd  Pd12  1  0.902  0.155  0.460  1.0
  Pd  Pd13  1  0.441  0.540  0.694  1.0
[/CIF]
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