The compound described by NdPrO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to six O(1,1,1) atoms to form NdO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Nd(1)O6 octahedra, edges with four equivalent Nd(1)O6 octahedra, and edges with eight equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Pr(1) is bonded to six O(1,1,1) atoms to form PrO6 octahedra that share corners with two equivalent Nd(1)O6 octahedra, corners with four equivalent Pr(1)O6 octahedra, edges with four equivalent Pr(1)O6 octahedra, and edges with eight equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_PrNdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   131.794
_cell_angle_beta   131.794
_cell_angle_gamma   70.555
_symmetry_Int_Tables_number   1
_cell_volume   130.881
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.498  0.998  0.500  1.0
  O  O5  1  0.252  0.252  0.000  1.0
  O  O6  1  0.748  0.748  0.000  1.0
  O  O7  1  0.002  0.502  0.500  1.0
[/CIF]
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The compound described by NdPrO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to six O(1,1,1) atoms to form NdO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Nd(1)O6 octahedra, edges with four equivalent Nd(1)O6 octahedra, and edges with eight equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Pr(1) is bonded to six O(1,1,1) atoms to form PrO6 octahedra that share corners with two equivalent Nd(1)O6 octahedra, corners with four equivalent Pr(1)O6 octahedra, edges with four equivalent Pr(1)O6 octahedra, and edges with eight equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(1) is bonded to three equivalent Nd(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_PrNdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   6.217
_cell_length_c   6.217
_cell_angle_alpha   131.794
_cell_angle_beta   131.794
_cell_angle_gamma   70.555
_symmetry_Int_Tables_number   1
_cell_volume   130.881
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.498  0.998  0.500  1.0
  O  O5  1  0.252  0.252  0.000  1.0
  O  O6  1  0.748  0.748  0.000  1.0
  O  O7  1  0.002  0.502  0.500  1.0
[/CIF]
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