The structure described by Na3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Pr(1) atoms to form NaNa8Pr4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Pr4 cuboctahedra, edges with eight equivalent Na(1)Na8Pr4 cuboctahedra, edges with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with eight equivalent Pr(1)Na12 cuboctahedra, faces with four equivalent Na(2)Na8Pr4 cuboctahedra, faces with four equivalent Pr(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Pr4 cuboctahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Pr(1) atoms to form distorted NaNa8Pr4 cuboctahedra that share corners with four equivalent Na(2)Na8Pr4 cuboctahedra, corners with eight equivalent Pr(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with sixteen equivalent Na(1)Na8Pr4 cuboctahedra, faces with four equivalent Na(2)Na8Pr4 cuboctahedra, faces with six equivalent Pr(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Pr4 cuboctahedra. Pr(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form PrNa12 cuboctahedra that share corners with four equivalent Pr(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with eight equivalent Pr(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Pr4 cuboctahedra, faces with four equivalent Pr(1)Na12 cuboctahedra, faces with six equivalent Na(2)Na8Pr4 cuboctahedra, and faces with eight equivalent Na(1)Na8Pr4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Pr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.598
_cell_length_c   6.598
_cell_angle_alpha   134.575
_cell_angle_beta   134.575
_cell_angle_gamma   66.192
_symmetry_Int_Tables_number   1
_cell_volume   143.504
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Na3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Pr(1) atoms to form NaNa8Pr4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Pr4 cuboctahedra, edges with eight equivalent Na(1)Na8Pr4 cuboctahedra, edges with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with eight equivalent Pr(1)Na12 cuboctahedra, faces with four equivalent Na(2)Na8Pr4 cuboctahedra, faces with four equivalent Pr(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Pr4 cuboctahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Pr(1) atoms to form distorted NaNa8Pr4 cuboctahedra that share corners with four equivalent Na(2)Na8Pr4 cuboctahedra, corners with eight equivalent Pr(1)Na12 cuboctahedra, edges with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with sixteen equivalent Na(1)Na8Pr4 cuboctahedra, faces with four equivalent Na(2)Na8Pr4 cuboctahedra, faces with six equivalent Pr(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Pr4 cuboctahedra. Pr(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form PrNa12 cuboctahedra that share corners with four equivalent Pr(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Pr4 cuboctahedra, edges with eight equivalent Pr(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Pr4 cuboctahedra, faces with four equivalent Pr(1)Na12 cuboctahedra, faces with six equivalent Na(2)Na8Pr4 cuboctahedra, and faces with eight equivalent Na(1)Na8Pr4 cuboctahedra. is represented by the CIF card [CIF]
data_Na3Pr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.598
_cell_length_c   6.598
_cell_angle_alpha   134.575
_cell_angle_beta   134.575
_cell_angle_gamma   66.192
_symmetry_Int_Tables_number   1
_cell_volume   143.504
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.000  0.000  1.0
[/CIF]
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