The crystal structure described by Pd4B crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to two equivalent Pd(2) and two equivalent B(1) atoms. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(4) atoms. In the third Pd site, Pd(3) is bonded in an L-shaped geometry to two equivalent Pd(2) and two equivalent B(1) atoms. In the fourth Pd site, Pd(4) is bonded in a single-bond geometry to four equivalent Pd(2) and one B(1) atom. B(1) is bonded to one Pd(4), two equivalent Pd(1), and two equivalent Pd(3) atoms to form corner-sharing BPd5 trigonal bipyramids. is represented by the CIF card [CIF]
data_BPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.365
_cell_length_b   2.892
_cell_length_c   5.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   73.929
_cell_formula_units_Z   1
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  0.250  0.500  0.137  1.0
  Pd  Pd1  1  0.750  0.500  0.132  1.0
  Pd  Pd2  1  0.750  0.000  0.671  1.0
  Pd  Pd3  1  0.250  0.000  0.381  1.0
  Pd  Pd4  1  0.250  0.500  0.802  1.0
[/CIF]
.
The crystal structure described by Pd4B crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to two equivalent Pd(2) and two equivalent B(1) atoms. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), and four equivalent Pd(4) atoms. In the third Pd site, Pd(3) is bonded in an L-shaped geometry to two equivalent Pd(2) and two equivalent B(1) atoms. In the fourth Pd site, Pd(4) is bonded in a single-bond geometry to four equivalent Pd(2) and one B(1) atom. B(1) is bonded to one Pd(4), two equivalent Pd(1), and two equivalent Pd(3) atoms to form corner-sharing BPd5 trigonal bipyramids. is represented by the CIF card [CIF]
data_BPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.365
_cell_length_b   2.892
_cell_length_c   5.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   73.929
_cell_formula_units_Z   1
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  0.250  0.500  0.137  1.0
  Pd  Pd1  1  0.750  0.500  0.132  1.0
  Pd  Pd2  1  0.750  0.000  0.671  1.0
  Pd  Pd3  1  0.250  0.000  0.381  1.0
  Pd  Pd4  1  0.250  0.500  0.802  1.0
[/CIF]
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