The structure described by Na5PrO6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Pr(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Pr(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Pr(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, and edges with six equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Pr(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(2) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5PrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.002
_cell_length_c   6.027
_cell_angle_alpha   119.863
_cell_angle_beta   99.871
_cell_angle_gamma   69.863
_symmetry_Int_Tables_number   1
_cell_volume   175.773
_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  0.168  0.836  1.0
  Na  Na1  1  0.500  0.832  0.164  1.0
  Na  Na2  1  1.000  1.000  0.500  1.0
  Na  Na3  1  0.000  0.326  0.152  1.0
  Na  Na4  1  1.000  0.674  0.848  1.0
  O  O5  1  0.262  0.266  0.500  1.0
  O  O6  1  0.737  0.734  0.500  1.0
  O  O7  1  0.741  0.106  0.186  1.0
  O  O8  1  0.259  0.894  0.814  1.0
  O  O9  1  0.259  0.580  0.186  1.0
  O  O10  1  0.741  0.420  0.814  1.0
  Pr  Pr11  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Na5PrO6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Pr(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Pr(1)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Pr(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, and edges with six equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth Na site, Na(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Pr(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(4)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with four equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(2) is bonded to one Na(1), one Na(2), one Na(3), two equivalent Na(4), and one Pr(1) atom to form a mixture of corner and edge-sharing ONa5Pr octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5PrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.967
_cell_length_b   6.002
_cell_length_c   6.027
_cell_angle_alpha   119.863
_cell_angle_beta   99.871
_cell_angle_gamma   69.863
_symmetry_Int_Tables_number   1
_cell_volume   175.773
_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  0.168  0.836  1.0
  Na  Na1  1  0.500  0.832  0.164  1.0
  Na  Na2  1  1.000  1.000  0.500  1.0
  Na  Na3  1  0.000  0.326  0.152  1.0
  Na  Na4  1  1.000  0.674  0.848  1.0
  O  O5  1  0.262  0.266  0.500  1.0
  O  O6  1  0.737  0.734  0.500  1.0
  O  O7  1  0.741  0.106  0.186  1.0
  O  O8  1  0.259  0.894  0.814  1.0
  O  O9  1  0.259  0.580  0.186  1.0
  O  O10  1  0.741  0.420  0.814  1.0
  Pr  Pr11  1  0.500  0.500  0.500  1.0
[/CIF]
.