The structure described by NaYb(Pd3O4)2 crystallizes in the cubic Pm-3 space group. Na(1) is bonded in a body-centered cubic geometry to eight O(1,1,1,1,1) atoms. Yb(1) is bonded in a body-centered cubic geometry to eight O(1,1,1,1,1) atoms. Pd(1) is bonded in a square co-planar geometry to four O(1,1,1,1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the second O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the third O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the fourth O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the fifth O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYb(Pd3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   5.784
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.506
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Pd  Pd2  1  0.251  0.000  0.500  1.0
  Pd  Pd3  1  0.749  0.000  0.500  1.0
  Pd  Pd4  1  0.500  0.251  0.000  1.0
  Pd  Pd5  1  0.500  0.749  0.000  1.0
  Pd  Pd6  1  0.000  0.500  0.251  1.0
  Pd  Pd7  1  0.000  0.500  0.749  1.0
  O  O8  1  0.243  0.243  0.243  1.0
  O  O9  1  0.757  0.757  0.757  1.0
  O  O10  1  0.757  0.757  0.243  1.0
  O  O11  1  0.757  0.243  0.757  1.0
  O  O12  1  0.243  0.243  0.757  1.0
  O  O13  1  0.243  0.757  0.243  1.0
  O  O14  1  0.243  0.757  0.757  1.0
  O  O15  1  0.757  0.243  0.243  1.0
[/CIF]
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The structure described by NaYb(Pd3O4)2 crystallizes in the cubic Pm-3 space group. Na(1) is bonded in a body-centered cubic geometry to eight O(1,1,1,1,1) atoms. Yb(1) is bonded in a body-centered cubic geometry to eight O(1,1,1,1,1) atoms. Pd(1) is bonded in a square co-planar geometry to four O(1,1,1,1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the second O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the third O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the fourth O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. In the fifth O site, O(1) is bonded to one Na(1), one Yb(1), and three equivalent Pd(1) atoms to form a mixture of corner and edge-sharing ONaYbPd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYb(Pd3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   5.784
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.506
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Pd  Pd2  1  0.251  0.000  0.500  1.0
  Pd  Pd3  1  0.749  0.000  0.500  1.0
  Pd  Pd4  1  0.500  0.251  0.000  1.0
  Pd  Pd5  1  0.500  0.749  0.000  1.0
  Pd  Pd6  1  0.000  0.500  0.251  1.0
  Pd  Pd7  1  0.000  0.500  0.749  1.0
  O  O8  1  0.243  0.243  0.243  1.0
  O  O9  1  0.757  0.757  0.757  1.0
  O  O10  1  0.757  0.757  0.243  1.0
  O  O11  1  0.757  0.243  0.757  1.0
  O  O12  1  0.243  0.243  0.757  1.0
  O  O13  1  0.243  0.757  0.243  1.0
  O  O14  1  0.243  0.757  0.757  1.0
  O  O15  1  0.757  0.243  0.243  1.0
[/CIF]
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