The crystal structure described by PdB2O4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Pd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pd(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.826
_cell_length_b   8.826
_cell_length_c   8.826
_cell_angle_alpha   96.130
_cell_angle_beta   96.130
_cell_angle_gamma   141.855
_symmetry_Int_Tables_number   1
_cell_volume   401.408
_cell_formula_units_Z   6
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  0.452  0.488  0.333  1.0
  B  B1  1  0.512  0.845  0.964  1.0
  B  B2  1  0.881  0.548  0.036  1.0
  B  B3  1  0.155  0.119  0.667  1.0
  B  B4  1  0.095  0.262  0.464  1.0
  B  B5  1  0.798  0.631  0.536  1.0
  B  B6  1  0.738  0.202  0.833  1.0
  B  B7  1  0.369  0.905  0.167  1.0
  B  B8  1  0.625  0.374  0.249  1.0
  B  B9  1  0.626  0.875  0.251  1.0
  B  B10  1  0.624  0.375  0.749  1.0
  B  B11  1  0.125  0.376  0.751  1.0
  Pd  Pd12  1  0.500  0.500  0.000  1.0
  Pd  Pd13  1  0.750  0.250  0.500  1.0
  Pd  Pd14  1  0.125  0.955  0.330  1.0
  Pd  Pd15  1  0.045  0.375  0.170  1.0
  Pd  Pd16  1  0.205  0.875  0.830  1.0
  Pd  Pd17  1  0.625  0.795  0.670  1.0
  O  O18  1  0.572  0.665  0.233  1.0
  O  O19  1  0.335  0.568  0.907  1.0
  O  O20  1  0.661  0.428  0.093  1.0
  O  O21  1  0.432  0.339  0.767  1.0
  O  O22  1  0.818  0.085  0.407  1.0
  O  O23  1  0.678  0.411  0.593  1.0
  O  O24  1  0.915  0.322  0.733  1.0
  O  O25  1  0.589  0.182  0.267  1.0
  O  O26  1  0.625  0.623  0.498  1.0
  O  O27  1  0.377  0.875  0.002  1.0
  O  O28  1  0.873  0.375  0.998  1.0
  O  O29  1  0.125  0.127  0.502  1.0
  O  O30  1  0.215  0.375  0.340  1.0
  O  O31  1  0.625  0.965  0.840  1.0
  O  O32  1  0.125  0.785  0.160  1.0
  O  O33  1  0.035  0.875  0.660  1.0
  O  O34  1  0.396  0.283  0.260  1.0
  O  O35  1  0.717  0.977  0.113  1.0
  O  O36  1  0.864  0.604  0.887  1.0
  O  O37  1  0.023  0.136  0.740  1.0
  O  O38  1  0.227  0.467  0.613  1.0
  O  O39  1  0.854  0.614  0.387  1.0
  O  O40  1  0.533  0.146  0.760  1.0
  O  O41  1  0.386  0.773  0.240  1.0
[/CIF]
.
The crystal structure described by PdB2O4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Pd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pd(2), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.826
_cell_length_b   8.826
_cell_length_c   8.826
_cell_angle_alpha   96.130
_cell_angle_beta   96.130
_cell_angle_gamma   141.855
_symmetry_Int_Tables_number   1
_cell_volume   401.408
_cell_formula_units_Z   6
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  0.452  0.488  0.333  1.0
  B  B1  1  0.512  0.845  0.964  1.0
  B  B2  1  0.881  0.548  0.036  1.0
  B  B3  1  0.155  0.119  0.667  1.0
  B  B4  1  0.095  0.262  0.464  1.0
  B  B5  1  0.798  0.631  0.536  1.0
  B  B6  1  0.738  0.202  0.833  1.0
  B  B7  1  0.369  0.905  0.167  1.0
  B  B8  1  0.625  0.374  0.249  1.0
  B  B9  1  0.626  0.875  0.251  1.0
  B  B10  1  0.624  0.375  0.749  1.0
  B  B11  1  0.125  0.376  0.751  1.0
  Pd  Pd12  1  0.500  0.500  0.000  1.0
  Pd  Pd13  1  0.750  0.250  0.500  1.0
  Pd  Pd14  1  0.125  0.955  0.330  1.0
  Pd  Pd15  1  0.045  0.375  0.170  1.0
  Pd  Pd16  1  0.205  0.875  0.830  1.0
  Pd  Pd17  1  0.625  0.795  0.670  1.0
  O  O18  1  0.572  0.665  0.233  1.0
  O  O19  1  0.335  0.568  0.907  1.0
  O  O20  1  0.661  0.428  0.093  1.0
  O  O21  1  0.432  0.339  0.767  1.0
  O  O22  1  0.818  0.085  0.407  1.0
  O  O23  1  0.678  0.411  0.593  1.0
  O  O24  1  0.915  0.322  0.733  1.0
  O  O25  1  0.589  0.182  0.267  1.0
  O  O26  1  0.625  0.623  0.498  1.0
  O  O27  1  0.377  0.875  0.002  1.0
  O  O28  1  0.873  0.375  0.998  1.0
  O  O29  1  0.125  0.127  0.502  1.0
  O  O30  1  0.215  0.375  0.340  1.0
  O  O31  1  0.625  0.965  0.840  1.0
  O  O32  1  0.125  0.785  0.160  1.0
  O  O33  1  0.035  0.875  0.660  1.0
  O  O34  1  0.396  0.283  0.260  1.0
  O  O35  1  0.717  0.977  0.113  1.0
  O  O36  1  0.864  0.604  0.887  1.0
  O  O37  1  0.023  0.136  0.740  1.0
  O  O38  1  0.227  0.467  0.613  1.0
  O  O39  1  0.854  0.614  0.387  1.0
  O  O40  1  0.533  0.146  0.760  1.0
  O  O41  1  0.386  0.773  0.240  1.0
[/CIF]
.