The material described by Pd6B is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Pd6B clusters. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a single-bond geometry to one B(1) atom. In the second Pd site, Pd(3) is bonded in a single-bond geometry to one B(1) atom. In the third Pd site, Pd(1) is bonded in a single-bond geometry to one B(1) atom. B(1) is bonded in an octahedral geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   4.941
_cell_length_c   9.447
_cell_angle_alpha   94.978
_cell_angle_beta   94.978
_cell_angle_gamma   119.872
_symmetry_Int_Tables_number   1
_cell_volume   196.954
_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
  B  B0  1  0.918  0.082  0.750  1.0
  B  B1  1  0.082  0.918  0.250  1.0
  Pd  Pd2  1  0.785  0.959  0.378  1.0
  Pd  Pd3  1  0.215  0.041  0.622  1.0
  Pd  Pd4  1  0.041  0.215  0.122  1.0
  Pd  Pd5  1  0.959  0.785  0.878  1.0
  Pd  Pd6  1  0.534  0.699  0.623  1.0
  Pd  Pd7  1  0.466  0.301  0.377  1.0
  Pd  Pd8  1  0.301  0.466  0.877  1.0
  Pd  Pd9  1  0.699  0.534  0.123  1.0
  Pd  Pd10  1  0.618  0.125  0.878  1.0
  Pd  Pd11  1  0.382  0.875  0.122  1.0
  Pd  Pd12  1  0.875  0.382  0.622  1.0
  Pd  Pd13  1  0.125  0.618  0.378  1.0
[/CIF]
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The material described by Pd6B is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Pd6B clusters. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a single-bond geometry to one B(1) atom. In the second Pd site, Pd(3) is bonded in a single-bond geometry to one B(1) atom. In the third Pd site, Pd(1) is bonded in a single-bond geometry to one B(1) atom. B(1) is bonded in an octahedral geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_BPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   4.941
_cell_length_c   9.447
_cell_angle_alpha   94.978
_cell_angle_beta   94.978
_cell_angle_gamma   119.872
_symmetry_Int_Tables_number   1
_cell_volume   196.954
_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
  B  B0  1  0.918  0.082  0.750  1.0
  B  B1  1  0.082  0.918  0.250  1.0
  Pd  Pd2  1  0.785  0.959  0.378  1.0
  Pd  Pd3  1  0.215  0.041  0.622  1.0
  Pd  Pd4  1  0.041  0.215  0.122  1.0
  Pd  Pd5  1  0.959  0.785  0.878  1.0
  Pd  Pd6  1  0.534  0.699  0.623  1.0
  Pd  Pd7  1  0.466  0.301  0.377  1.0
  Pd  Pd8  1  0.301  0.466  0.877  1.0
  Pd  Pd9  1  0.699  0.534  0.123  1.0
  Pd  Pd10  1  0.618  0.125  0.878  1.0
  Pd  Pd11  1  0.382  0.875  0.122  1.0
  Pd  Pd12  1  0.875  0.382  0.622  1.0
  Pd  Pd13  1  0.125  0.618  0.378  1.0
[/CIF]
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