The material structure described by BaPd4B crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(2) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one B(1) atom. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), and four equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_BaBPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   5.708
_cell_length_c   12.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.912
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.185  0.250  0.336  1.0
  Ba  Ba1  1  0.685  0.250  0.164  1.0
  Ba  Ba2  1  0.815  0.750  0.664  1.0
  Ba  Ba3  1  0.315  0.750  0.836  1.0
  B  B4  1  0.099  0.250  0.948  1.0
  B  B5  1  0.599  0.250  0.552  1.0
  B  B6  1  0.901  0.750  0.052  1.0
  B  B7  1  0.401  0.750  0.448  1.0
  Pd  Pd8  1  0.111  0.250  0.768  1.0
  Pd  Pd9  1  0.611  0.250  0.732  1.0
  Pd  Pd10  1  0.889  0.750  0.232  1.0
  Pd  Pd11  1  0.389  0.750  0.268  1.0
  Pd  Pd12  1  0.436  0.250  0.941  1.0
  Pd  Pd13  1  0.936  0.250  0.559  1.0
  Pd  Pd14  1  0.564  0.750  0.059  1.0
  Pd  Pd15  1  0.064  0.750  0.441  1.0
  Pd  Pd16  1  0.335  0.006  0.582  1.0
  Pd  Pd17  1  0.835  0.494  0.918  1.0
  Pd  Pd18  1  0.665  0.506  0.418  1.0
  Pd  Pd19  1  0.165  0.994  0.082  1.0
  Pd  Pd20  1  0.665  0.994  0.418  1.0
  Pd  Pd21  1  0.165  0.506  0.082  1.0
  Pd  Pd22  1  0.335  0.494  0.582  1.0
  Pd  Pd23  1  0.835  0.006  0.918  1.0
[/CIF]
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The material structure described by BaPd4B crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(2) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one B(1) atom. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one B(1) atom. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), and four equivalent Pd(3) atoms. is represented by the CIF file [CIF]
data_BaBPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   5.708
_cell_length_c   12.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.912
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.185  0.250  0.336  1.0
  Ba  Ba1  1  0.685  0.250  0.164  1.0
  Ba  Ba2  1  0.815  0.750  0.664  1.0
  Ba  Ba3  1  0.315  0.750  0.836  1.0
  B  B4  1  0.099  0.250  0.948  1.0
  B  B5  1  0.599  0.250  0.552  1.0
  B  B6  1  0.901  0.750  0.052  1.0
  B  B7  1  0.401  0.750  0.448  1.0
  Pd  Pd8  1  0.111  0.250  0.768  1.0
  Pd  Pd9  1  0.611  0.250  0.732  1.0
  Pd  Pd10  1  0.889  0.750  0.232  1.0
  Pd  Pd11  1  0.389  0.750  0.268  1.0
  Pd  Pd12  1  0.436  0.250  0.941  1.0
  Pd  Pd13  1  0.936  0.250  0.559  1.0
  Pd  Pd14  1  0.564  0.750  0.059  1.0
  Pd  Pd15  1  0.064  0.750  0.441  1.0
  Pd  Pd16  1  0.335  0.006  0.582  1.0
  Pd  Pd17  1  0.835  0.494  0.918  1.0
  Pd  Pd18  1  0.665  0.506  0.418  1.0
  Pd  Pd19  1  0.165  0.994  0.082  1.0
  Pd  Pd20  1  0.665  0.994  0.418  1.0
  Pd  Pd21  1  0.165  0.506  0.082  1.0
  Pd  Pd22  1  0.335  0.494  0.582  1.0
  Pd  Pd23  1  0.835  0.006  0.918  1.0
[/CIF]
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