The crystal structure described by Na2PrO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Pr(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Pr(1) atoms to form a mixture of edge and corner-sharing ONa4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent Pr(1) atoms to form a mixture of edge and corner-sharing ONa4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Na2PrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.052
_cell_length_b   6.052
_cell_length_c   6.052
_cell_angle_alpha   145.384
_cell_angle_beta   133.532
_cell_angle_gamma   59.220
_symmetry_Int_Tables_number   1
_cell_volume   90.477
_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  0.671  0.671  0.000  1.0
  Na  Na1  1  0.329  0.329  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.150  0.650  0.500  1.0
  O  O5  1  0.850  0.350  0.500  1.0
[/CIF]
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The crystal structure described by Na2PrO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with five equivalent Pr(1)O6 octahedra, and edges with seven equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, and edges with ten equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Pr(1) atoms to form a mixture of edge and corner-sharing ONa4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent Pr(1) atoms to form a mixture of edge and corner-sharing ONa4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Na2PrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.052
_cell_length_b   6.052
_cell_length_c   6.052
_cell_angle_alpha   145.384
_cell_angle_beta   133.532
_cell_angle_gamma   59.220
_symmetry_Int_Tables_number   1
_cell_volume   90.477
_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  0.671  0.671  0.000  1.0
  Na  Na1  1  0.329  0.329  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.150  0.650  0.500  1.0
  O  O5  1  0.850  0.350  0.500  1.0
[/CIF]
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