The structure described by PdAlO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Pd(1)O6 octahedra, and edges with three equivalent Pd(2)O6 octahedra. In the second Pd site, Pd(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PdO6 octahedra that share corners with eight equivalent Al(1)O4 tetrahedra and edges with three equivalent Pd(1)O6 octahedra. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with three equivalent Pd(1)O6 octahedra, corners with four equivalent Pd(2)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), two equivalent Pd(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlPd3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pd(1), one Pd(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   5.345
_cell_angle_alpha   81.569
_cell_angle_beta   98.431
_cell_angle_gamma   92.495
_symmetry_Int_Tables_number   1
_cell_volume   229.894
_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
  Al  Al0  1  0.222  0.607  0.707  1.0
  Al  Al1  1  0.393  0.778  0.207  1.0
  Al  Al2  1  0.607  0.222  0.793  1.0
  Al  Al3  1  0.778  0.393  0.293  1.0
  Pd  Pd4  1  0.096  0.096  0.750  1.0
  Pd  Pd5  1  0.719  0.719  0.750  1.0
  Pd  Pd6  1  0.281  0.281  0.250  1.0
  Pd  Pd7  1  0.904  0.904  0.250  1.0
  O  O8  1  0.024  0.802  0.633  1.0
  O  O9  1  0.198  0.976  0.133  1.0
  O  O10  1  0.423  0.715  0.904  1.0
  O  O11  1  0.145  0.375  0.889  1.0
  O  O12  1  0.285  0.577  0.404  1.0
  O  O13  1  0.625  0.855  0.389  1.0
  O  O14  1  0.375  0.145  0.611  1.0
  O  O15  1  0.715  0.423  0.596  1.0
  O  O16  1  0.855  0.625  0.111  1.0
  O  O17  1  0.577  0.285  0.096  1.0
  O  O18  1  0.802  0.024  0.867  1.0
  O  O19  1  0.976  0.198  0.367  1.0
[/CIF]
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The structure described by PdAlO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra, edges with two equivalent Pd(1)O6 octahedra, and edges with three equivalent Pd(2)O6 octahedra. In the second Pd site, Pd(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PdO6 octahedra that share corners with eight equivalent Al(1)O4 tetrahedra and edges with three equivalent Pd(1)O6 octahedra. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with three equivalent Pd(1)O6 octahedra, corners with four equivalent Pd(2)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-68°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), two equivalent Pd(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OAlPd3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pd(1), one Pd(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   5.345
_cell_angle_alpha   81.569
_cell_angle_beta   98.431
_cell_angle_gamma   92.495
_symmetry_Int_Tables_number   1
_cell_volume   229.894
_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
  Al  Al0  1  0.222  0.607  0.707  1.0
  Al  Al1  1  0.393  0.778  0.207  1.0
  Al  Al2  1  0.607  0.222  0.793  1.0
  Al  Al3  1  0.778  0.393  0.293  1.0
  Pd  Pd4  1  0.096  0.096  0.750  1.0
  Pd  Pd5  1  0.719  0.719  0.750  1.0
  Pd  Pd6  1  0.281  0.281  0.250  1.0
  Pd  Pd7  1  0.904  0.904  0.250  1.0
  O  O8  1  0.024  0.802  0.633  1.0
  O  O9  1  0.198  0.976  0.133  1.0
  O  O10  1  0.423  0.715  0.904  1.0
  O  O11  1  0.145  0.375  0.889  1.0
  O  O12  1  0.285  0.577  0.404  1.0
  O  O13  1  0.625  0.855  0.389  1.0
  O  O14  1  0.375  0.145  0.611  1.0
  O  O15  1  0.715  0.423  0.596  1.0
  O  O16  1  0.855  0.625  0.111  1.0
  O  O17  1  0.577  0.285  0.096  1.0
  O  O18  1  0.802  0.024  0.867  1.0
  O  O19  1  0.976  0.198  0.367  1.0
[/CIF]
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