The material described by LaPdO4 crystallizes in the trigonal R-3m space group. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Pd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form edge-sharing PdO8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Pd(1) atom to form OLa3Pd tetrahedra that share corners with ten equivalent O(1)La3Pd tetrahedra, corners with six equivalent O(2)LaPd3 trigonal pyramids, edges with three equivalent O(1)La3Pd tetrahedra, and edges with three equivalent O(2)LaPd3 trigonal pyramids. In the second O site, O(2) is bonded to one La(1) and three equivalent Pd(1) atoms to form OLaPd3 trigonal pyramids that share corners with six equivalent O(1)La3Pd tetrahedra, corners with ten equivalent O(2)LaPd3 trigonal pyramids, edges with three equivalent O(1)La3Pd tetrahedra, and edges with three equivalent O(2)LaPd3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaPdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.404
_cell_length_b   6.404
_cell_length_c   6.404
_cell_angle_alpha   35.058
_cell_angle_beta   35.058
_cell_angle_gamma   35.058
_symmetry_Int_Tables_number   1
_cell_volume   77.382
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.612  0.612  0.612  1.0
  O  O3  1  0.156  0.156  0.156  1.0
  O  O4  1  0.844  0.844  0.844  1.0
  O  O5  1  0.388  0.388  0.388  1.0
[/CIF]
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The material described by LaPdO4 crystallizes in the trigonal R-3m space group. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Pd(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form edge-sharing PdO8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Pd(1) atom to form OLa3Pd tetrahedra that share corners with ten equivalent O(1)La3Pd tetrahedra, corners with six equivalent O(2)LaPd3 trigonal pyramids, edges with three equivalent O(1)La3Pd tetrahedra, and edges with three equivalent O(2)LaPd3 trigonal pyramids. In the second O site, O(2) is bonded to one La(1) and three equivalent Pd(1) atoms to form OLaPd3 trigonal pyramids that share corners with six equivalent O(1)La3Pd tetrahedra, corners with ten equivalent O(2)LaPd3 trigonal pyramids, edges with three equivalent O(1)La3Pd tetrahedra, and edges with three equivalent O(2)LaPd3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaPdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.404
_cell_length_b   6.404
_cell_length_c   6.404
_cell_angle_alpha   35.058
_cell_angle_beta   35.058
_cell_angle_gamma   35.058
_symmetry_Int_Tables_number   1
_cell_volume   77.382
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.612  0.612  0.612  1.0
  O  O3  1  0.156  0.156  0.156  1.0
  O  O4  1  0.844  0.844  0.844  1.0
  O  O5  1  0.388  0.388  0.388  1.0
[/CIF]
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