The material described by Nd2Pd2O5 crystallizes in the tetragonal P4_2/m space group. Nd(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 in a rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Nd(1) and two equivalent Pd(1) atoms to form distorted ONd3Pd2 trigonal bipyramids that share corners with four equivalent O(2)Nd4 tetrahedra, corners with eight equivalent O(1)Nd3Pd2 trigonal bipyramids,  an edgeedge with one O(2)Nd4 tetrahedra, edges with five equivalent O(1)Nd3Pd2 trigonal bipyramids, and  a faceface with one O(1)Nd3Pd2 trigonal bipyramid. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with sixteen equivalent O(1)Nd3Pd2 trigonal bipyramids, edges with two equivalent O(2)Nd4 tetrahedra, and edges with four equivalent O(1)Nd3Pd2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Pd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   6.594
_cell_length_c   5.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.538
_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
  Nd  Nd0  1  0.107  0.261  0.000  1.0
  Nd  Nd1  1  0.893  0.739  0.000  1.0
  Nd  Nd2  1  0.261  0.893  0.500  1.0
  Nd  Nd3  1  0.739  0.107  0.500  1.0
  Pd  Pd4  1  0.596  0.305  0.000  1.0
  Pd  Pd5  1  0.404  0.695  0.000  1.0
  Pd  Pd6  1  0.305  0.404  0.500  1.0
  Pd  Pd7  1  0.695  0.596  0.500  1.0
  O  O8  1  0.403  0.196  0.258  1.0
  O  O9  1  0.597  0.804  0.742  1.0
  O  O10  1  0.597  0.804  0.258  1.0
  O  O11  1  0.196  0.597  0.758  1.0
  O  O12  1  0.403  0.196  0.742  1.0
  O  O13  1  0.804  0.403  0.242  1.0
  O  O14  1  0.804  0.403  0.758  1.0
  O  O15  1  0.196  0.597  0.242  1.0
  O  O16  1  0.000  0.000  0.250  1.0
  O  O17  1  0.000  0.000  0.750  1.0
[/CIF]
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The material described by Nd2Pd2O5 crystallizes in the tetragonal P4_2/m space group. Nd(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 in a rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Nd(1) and two equivalent Pd(1) atoms to form distorted ONd3Pd2 trigonal bipyramids that share corners with four equivalent O(2)Nd4 tetrahedra, corners with eight equivalent O(1)Nd3Pd2 trigonal bipyramids,  an edgeedge with one O(2)Nd4 tetrahedra, edges with five equivalent O(1)Nd3Pd2 trigonal bipyramids, and  a faceface with one O(1)Nd3Pd2 trigonal bipyramid. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with sixteen equivalent O(1)Nd3Pd2 trigonal bipyramids, edges with two equivalent O(2)Nd4 tetrahedra, and edges with four equivalent O(1)Nd3Pd2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Pd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   6.594
_cell_length_c   5.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.538
_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
  Nd  Nd0  1  0.107  0.261  0.000  1.0
  Nd  Nd1  1  0.893  0.739  0.000  1.0
  Nd  Nd2  1  0.261  0.893  0.500  1.0
  Nd  Nd3  1  0.739  0.107  0.500  1.0
  Pd  Pd4  1  0.596  0.305  0.000  1.0
  Pd  Pd5  1  0.404  0.695  0.000  1.0
  Pd  Pd6  1  0.305  0.404  0.500  1.0
  Pd  Pd7  1  0.695  0.596  0.500  1.0
  O  O8  1  0.403  0.196  0.258  1.0
  O  O9  1  0.597  0.804  0.742  1.0
  O  O10  1  0.597  0.804  0.258  1.0
  O  O11  1  0.196  0.597  0.758  1.0
  O  O12  1  0.403  0.196  0.742  1.0
  O  O13  1  0.804  0.403  0.242  1.0
  O  O14  1  0.804  0.403  0.758  1.0
  O  O15  1  0.196  0.597  0.242  1.0
  O  O16  1  0.000  0.000  0.250  1.0
  O  O17  1  0.000  0.000  0.750  1.0
[/CIF]
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