The material described by Ba(PdO2)2 crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1) and two equivalent Pd(1) atoms to form a mixture of distorted edge and corner-sharing OBa2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_Ba(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.827
_cell_length_b   6.827
_cell_length_c   6.827
_cell_angle_alpha   124.761
_cell_angle_beta   124.770
_cell_angle_gamma   81.926
_symmetry_Int_Tables_number   1
_cell_volume   206.523
_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
  Ba  Ba0  1  0.375  0.125  0.250  1.0
  Ba  Ba1  1  0.625  0.875  0.750  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.500  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.980  0.320  0.137  1.0
  O  O7  1  0.820  0.183  0.341  1.0
  O  O8  1  0.343  0.480  0.159  1.0
  O  O9  1  0.317  0.157  0.637  1.0
  O  O10  1  0.683  0.843  0.363  1.0
  O  O11  1  0.657  0.520  0.841  1.0
  O  O12  1  0.180  0.817  0.659  1.0
  O  O13  1  0.020  0.680  0.863  1.0
[/CIF]
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The material described by Ba(PdO2)2 crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1) and two equivalent Pd(1) atoms to form a mixture of distorted edge and corner-sharing OBa2Pd2 tetrahedra. is represented by the CIF file [CIF]
data_Ba(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.827
_cell_length_b   6.827
_cell_length_c   6.827
_cell_angle_alpha   124.761
_cell_angle_beta   124.770
_cell_angle_gamma   81.926
_symmetry_Int_Tables_number   1
_cell_volume   206.523
_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
  Ba  Ba0  1  0.375  0.125  0.250  1.0
  Ba  Ba1  1  0.625  0.875  0.750  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.500  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.980  0.320  0.137  1.0
  O  O7  1  0.820  0.183  0.341  1.0
  O  O8  1  0.343  0.480  0.159  1.0
  O  O9  1  0.317  0.157  0.637  1.0
  O  O10  1  0.683  0.843  0.363  1.0
  O  O11  1  0.657  0.520  0.841  1.0
  O  O12  1  0.180  0.817  0.659  1.0
  O  O13  1  0.020  0.680  0.863  1.0
[/CIF]
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