The material described by BaPdO5 crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Pd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Pd(1), and one O(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Pd(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1) and two equivalent Pd(1) atoms to form distorted corner-sharing OBa2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_BaPdO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.533
_cell_length_b   4.901
_cell_length_c   7.184
_cell_angle_alpha   86.833
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.490
_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
  Ba  Ba0  1  0.368  0.500  0.750  1.0
  Ba  Ba1  1  0.632  0.500  0.250  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.698  0.071  0.663  1.0
  O  O5  1  0.698  0.929  0.837  1.0
  O  O6  1  0.302  0.929  0.337  1.0
  O  O7  1  0.302  0.071  0.163  1.0
  O  O8  1  0.927  0.411  0.945  1.0
  O  O9  1  0.927  0.589  0.555  1.0
  O  O10  1  0.073  0.589  0.055  1.0
  O  O11  1  0.073  0.411  0.445  1.0
  O  O12  1  0.184  0.000  0.750  1.0
  O  O13  1  0.816  0.000  0.250  1.0
[/CIF]
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The material described by BaPdO5 crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Pd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Pd(1), and one O(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Pd(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1) and two equivalent Pd(1) atoms to form distorted corner-sharing OBa2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_BaPdO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.533
_cell_length_b   4.901
_cell_length_c   7.184
_cell_angle_alpha   86.833
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.490
_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
  Ba  Ba0  1  0.368  0.500  0.750  1.0
  Ba  Ba1  1  0.632  0.500  0.250  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.698  0.071  0.663  1.0
  O  O5  1  0.698  0.929  0.837  1.0
  O  O6  1  0.302  0.929  0.337  1.0
  O  O7  1  0.302  0.071  0.163  1.0
  O  O8  1  0.927  0.411  0.945  1.0
  O  O9  1  0.927  0.589  0.555  1.0
  O  O10  1  0.073  0.589  0.055  1.0
  O  O11  1  0.073  0.411  0.445  1.0
  O  O12  1  0.184  0.000  0.750  1.0
  O  O13  1  0.816  0.000  0.250  1.0
[/CIF]
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