The material described by PdAuO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PdO6 octahedra. Au(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), two equivalent Pd(1), and one Au(1) atom to form a mixture of edge and corner-sharing OPd3Au tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Pd(2) and one Au(1) atom. is represented by the CIF card [CIF]
data_PdAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.046
_cell_length_b   6.180
_cell_length_c   6.410
_cell_angle_alpha   108.082
_cell_angle_beta   103.746
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.058
_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
  Pd  Pd0  1  0.000  0.500  0.000  1.0
  Pd  Pd1  1  0.500  0.000  0.000  1.0
  Au  Au2  1  0.267  0.215  0.534  1.0
  Au  Au3  1  0.733  0.785  0.466  1.0
  O  O4  1  0.560  0.725  0.121  1.0
  O  O5  1  0.900  0.836  0.801  1.0
  O  O6  1  0.100  0.164  0.199  1.0
  O  O7  1  0.440  0.275  0.879  1.0
[/CIF]
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The material described by PdAuO2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PdO6 octahedra. Au(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), two equivalent Pd(1), and one Au(1) atom to form a mixture of edge and corner-sharing OPd3Au tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Pd(2) and one Au(1) atom. is represented by the CIF card [CIF]
data_PdAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.046
_cell_length_b   6.180
_cell_length_c   6.410
_cell_angle_alpha   108.082
_cell_angle_beta   103.746
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.058
_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
  Pd  Pd0  1  0.000  0.500  0.000  1.0
  Pd  Pd1  1  0.500  0.000  0.000  1.0
  Au  Au2  1  0.267  0.215  0.534  1.0
  Au  Au3  1  0.733  0.785  0.466  1.0
  O  O4  1  0.560  0.725  0.121  1.0
  O  O5  1  0.900  0.836  0.801  1.0
  O  O6  1  0.100  0.164  0.199  1.0
  O  O7  1  0.440  0.275  0.879  1.0
[/CIF]
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