The compound described by Ce3Pd4 crystallizes in the trigonal R-3 space group. Ce(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 Ce(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent Ce(1) and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Ce3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.185
_cell_length_b   8.185
_cell_length_c   8.185
_cell_angle_alpha   114.656
_cell_angle_beta   114.656
_cell_angle_gamma   114.656
_symmetry_Int_Tables_number   1
_cell_volume   316.267
_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
  Ce  Ce0  1  0.969  0.594  0.717  1.0
  Ce  Ce1  1  0.717  0.969  0.594  1.0
  Ce  Ce2  1  0.594  0.717  0.969  1.0
  Ce  Ce3  1  0.031  0.406  0.283  1.0
  Ce  Ce4  1  0.283  0.031  0.406  1.0
  Ce  Ce5  1  0.406  0.283  0.031  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.500  0.500  1.0
  Pd  Pd8  1  0.943  0.778  0.443  1.0
  Pd  Pd9  1  0.443  0.943  0.778  1.0
  Pd  Pd10  1  0.778  0.443  0.943  1.0
  Pd  Pd11  1  0.057  0.222  0.557  1.0
  Pd  Pd12  1  0.557  0.057  0.222  1.0
  Pd  Pd13  1  0.222  0.557  0.057  1.0
[/CIF]
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The compound described by Ce3Pd4 crystallizes in the trigonal R-3 space group. Ce(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 Ce(1) and two equivalent Pd(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Pd(1) atoms. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to seven equivalent Ce(1) and three equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_Ce3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.185
_cell_length_b   8.185
_cell_length_c   8.185
_cell_angle_alpha   114.656
_cell_angle_beta   114.656
_cell_angle_gamma   114.656
_symmetry_Int_Tables_number   1
_cell_volume   316.267
_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
  Ce  Ce0  1  0.969  0.594  0.717  1.0
  Ce  Ce1  1  0.717  0.969  0.594  1.0
  Ce  Ce2  1  0.594  0.717  0.969  1.0
  Ce  Ce3  1  0.031  0.406  0.283  1.0
  Ce  Ce4  1  0.283  0.031  0.406  1.0
  Ce  Ce5  1  0.406  0.283  0.031  1.0
  Pd  Pd6  1  0.000  0.000  0.000  1.0
  Pd  Pd7  1  0.500  0.500  0.500  1.0
  Pd  Pd8  1  0.943  0.778  0.443  1.0
  Pd  Pd9  1  0.443  0.943  0.778  1.0
  Pd  Pd10  1  0.778  0.443  0.943  1.0
  Pd  Pd11  1  0.057  0.222  0.557  1.0
  Pd  Pd12  1  0.557  0.057  0.222  1.0
  Pd  Pd13  1  0.222  0.557  0.057  1.0
[/CIF]
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