The material structure described by KPd2O3 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent K(1), one Pd(2), and two equivalent Pd(1) atoms to form a mixture of distorted edge and corner-sharing OK2Pd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   6.136
_cell_length_c   7.069
_cell_angle_alpha   64.279
_cell_angle_beta   64.279
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   199.448
_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
  K  K0  1  0.170  0.170  0.489  1.0
  K  K1  1  0.830  0.830  0.511  1.0
  Pd  Pd2  1  0.500  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.500  0.000  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.612  0.112  0.164  1.0
  O  O7  1  0.112  0.112  0.164  1.0
  O  O8  1  0.112  0.612  0.164  1.0
  O  O9  1  0.388  0.888  0.836  1.0
  O  O10  1  0.888  0.888  0.836  1.0
  O  O11  1  0.888  0.388  0.836  1.0
[/CIF]
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The material structure described by KPd2O3 crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in an octahedral geometry to six equivalent O(1) atoms. In the second Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent K(1), one Pd(2), and two equivalent Pd(1) atoms to form a mixture of distorted edge and corner-sharing OK2Pd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   6.136
_cell_length_c   7.069
_cell_angle_alpha   64.279
_cell_angle_beta   64.279
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   199.448
_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
  K  K0  1  0.170  0.170  0.489  1.0
  K  K1  1  0.830  0.830  0.511  1.0
  Pd  Pd2  1  0.500  0.000  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.500  0.000  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.612  0.112  0.164  1.0
  O  O7  1  0.112  0.112  0.164  1.0
  O  O8  1  0.112  0.612  0.164  1.0
  O  O9  1  0.388  0.888  0.836  1.0
  O  O10  1  0.888  0.888  0.836  1.0
  O  O11  1  0.888  0.388  0.836  1.0
[/CIF]
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