The crystal structure described by ThPrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Th(1)N6 octahedra, edges with four equivalent Th(1)N6 octahedra, and edges with eight equivalent Pr(1)N6 octahedra. The corner-sharing octahedra are not tilted. Pr(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form PrN6 octahedra that share corners with six equivalent Pr(1)N6 octahedra, edges with four equivalent Pr(1)N6 octahedra, and edges with eight equivalent Th(1)N6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Th(1) and two equivalent Pr(1) atoms to form NPr2Th4 octahedra that share corners with six equivalent N(1)Pr2Th4 octahedra, edges with four equivalent N(1)Pr2Th4 octahedra, and edges with eight equivalent N(2)Pr4Th2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Th(1) and four equivalent Pr(1) atoms to form NPr4Th2 octahedra that share corners with six equivalent N(2)Pr4Th2 octahedra, edges with four equivalent N(2)Pr4Th2 octahedra, and edges with eight equivalent N(1)Pr2Th4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.671
_cell_length_b   3.671
_cell_length_c   5.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.545
_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
  Pr  Pr0  1  0.000  0.000  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  N  N2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by ThPrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Th(1)N6 octahedra, edges with four equivalent Th(1)N6 octahedra, and edges with eight equivalent Pr(1)N6 octahedra. The corner-sharing octahedra are not tilted. Pr(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form PrN6 octahedra that share corners with six equivalent Pr(1)N6 octahedra, edges with four equivalent Pr(1)N6 octahedra, and edges with eight equivalent Th(1)N6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Th(1) and two equivalent Pr(1) atoms to form NPr2Th4 octahedra that share corners with six equivalent N(1)Pr2Th4 octahedra, edges with four equivalent N(1)Pr2Th4 octahedra, and edges with eight equivalent N(2)Pr4Th2 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Th(1) and four equivalent Pr(1) atoms to form NPr4Th2 octahedra that share corners with six equivalent N(2)Pr4Th2 octahedra, edges with four equivalent N(2)Pr4Th2 octahedra, and edges with eight equivalent N(1)Pr2Th4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.671
_cell_length_b   3.671
_cell_length_c   5.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.545
_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
  Pr  Pr0  1  0.000  0.000  0.500  1.0
  Th  Th1  1  0.500  0.500  0.000  1.0
  N  N2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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