The material structure described by Pd5Pr crystallizes in the trigonal P321 space group. Pr(1) is bonded to three equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms to form a mixture of corner and edge-sharing PrPd12 cuboctahedra. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1) atoms. In the fourth Pd site, Pd(4) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.105
_cell_length_c   9.431
_cell_angle_alpha   90.030
_cell_angle_beta   90.000
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   212.785
_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
  Pr  Pr0  1  0.667  0.333  0.250  1.0
  Pr  Pr1  1  0.333  0.667  0.750  1.0
  Pd  Pd2  1  0.678  0.000  0.500  1.0
  Pd  Pd3  1  0.322  0.322  0.500  1.0
  Pd  Pd4  1  0.000  0.678  0.500  1.0
  Pd  Pd5  1  0.321  0.000  0.000  1.0
  Pd  Pd6  1  0.678  0.678  0.000  1.0
  Pd  Pd7  1  0.000  0.322  1.000  1.0
  Pd  Pd8  1  0.666  0.333  0.750  1.0
  Pd  Pd9  1  0.333  0.667  0.250  1.0
  Pd  Pd10  1  0.000  0.000  0.750  1.0
  Pd  Pd11  1  0.000  1.000  0.250  1.0
[/CIF]
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The material structure described by Pd5Pr crystallizes in the trigonal P321 space group. Pr(1) is bonded to three equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(4) atoms to form a mixture of corner and edge-sharing PrPd12 cuboctahedra. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1) atoms. In the fourth Pd site, Pd(4) is bonded in a distorted trigonal planar geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.104
_cell_length_b   5.105
_cell_length_c   9.431
_cell_angle_alpha   90.030
_cell_angle_beta   90.000
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   212.785
_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
  Pr  Pr0  1  0.667  0.333  0.250  1.0
  Pr  Pr1  1  0.333  0.667  0.750  1.0
  Pd  Pd2  1  0.678  0.000  0.500  1.0
  Pd  Pd3  1  0.322  0.322  0.500  1.0
  Pd  Pd4  1  0.000  0.678  0.500  1.0
  Pd  Pd5  1  0.321  0.000  0.000  1.0
  Pd  Pd6  1  0.678  0.678  0.000  1.0
  Pd  Pd7  1  0.000  0.322  1.000  1.0
  Pd  Pd8  1  0.666  0.333  0.750  1.0
  Pd  Pd9  1  0.333  0.667  0.250  1.0
  Pd  Pd10  1  0.000  0.000  0.750  1.0
  Pd  Pd11  1  0.000  1.000  0.250  1.0
[/CIF]
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