The crystal structure described by PdAlO3 crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to six equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent Pd(1)O6 octahedra. Al(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with six equivalent Pd(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three 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 three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.220
_cell_length_b   3.220
_cell_length_c   11.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.527
_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
  Al  Al0  1  0.333  0.667  0.250  1.0
  Al  Al1  1  0.667  0.333  0.750  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  0.333  0.667  0.087  1.0
  O  O5  1  0.333  0.667  0.413  1.0
  O  O6  1  0.000  0.000  0.250  1.0
  O  O7  1  0.000  0.000  0.750  1.0
  O  O8  1  0.667  0.333  0.587  1.0
  O  O9  1  0.667  0.333  0.913  1.0
[/CIF]
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The crystal structure described by PdAlO3 crystallizes in the hexagonal P6_3/mmc space group. Pd(1) is bonded to six equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent Pd(1)O6 octahedra. Al(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form AlO5 trigonal bipyramids that share corners with six equivalent Pd(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three 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 three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.220
_cell_length_b   3.220
_cell_length_c   11.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.527
_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
  Al  Al0  1  0.333  0.667  0.250  1.0
  Al  Al1  1  0.667  0.333  0.750  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  0.333  0.667  0.087  1.0
  O  O5  1  0.333  0.667  0.413  1.0
  O  O6  1  0.000  0.000  0.250  1.0
  O  O7  1  0.000  0.000  0.750  1.0
  O  O8  1  0.667  0.333  0.587  1.0
  O  O9  1  0.667  0.333  0.913  1.0
[/CIF]
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