The material described by ThPrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Th(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ThC3N3 octahedra that share corners with six equivalent Pr(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent Pr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Pr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form PrC3N3 octahedra that share corners with six equivalent Th(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent Pr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. C(1) is bonded to three equivalent Th(1) and three equivalent Pr(1) atoms to form CPr3Th3 octahedra that share corners with six equivalent N(1)Pr3Th3 octahedra, edges with six equivalent C(1)Pr3Th3 octahedra, and edges with six equivalent N(1)Pr3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. N(1) is bonded to three equivalent Th(1) and three equivalent Pr(1) atoms to form NPr3Th3 octahedra that share corners with six equivalent C(1)Pr3Th3 octahedra, edges with six equivalent C(1)Pr3Th3 octahedra, and edges with six equivalent N(1)Pr3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_PrThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.469
_cell_length_b   6.469
_cell_length_c   6.469
_cell_angle_alpha   33.717
_cell_angle_beta   33.717
_cell_angle_gamma   33.717
_symmetry_Int_Tables_number   1
_cell_volume   74.323
_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  0.750  0.750  0.750  1.0
  Th  Th1  1  0.249  0.249  0.249  1.0
  C  C2  1  0.995  0.995  0.995  1.0
  N  N3  1  0.506  0.506  0.506  1.0
[/CIF]
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The material described by ThPrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Th(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ThC3N3 octahedra that share corners with six equivalent Pr(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent Pr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Pr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form PrC3N3 octahedra that share corners with six equivalent Th(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent Pr(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. C(1) is bonded to three equivalent Th(1) and three equivalent Pr(1) atoms to form CPr3Th3 octahedra that share corners with six equivalent N(1)Pr3Th3 octahedra, edges with six equivalent C(1)Pr3Th3 octahedra, and edges with six equivalent N(1)Pr3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. N(1) is bonded to three equivalent Th(1) and three equivalent Pr(1) atoms to form NPr3Th3 octahedra that share corners with six equivalent C(1)Pr3Th3 octahedra, edges with six equivalent C(1)Pr3Th3 octahedra, and edges with six equivalent N(1)Pr3Th3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_PrThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.469
_cell_length_b   6.469
_cell_length_c   6.469
_cell_angle_alpha   33.717
_cell_angle_beta   33.717
_cell_angle_gamma   33.717
_symmetry_Int_Tables_number   1
_cell_volume   74.323
_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  0.750  0.750  0.750  1.0
  Th  Th1  1  0.249  0.249  0.249  1.0
  C  C2  1  0.995  0.995  0.995  1.0
  N  N3  1  0.506  0.506  0.506  1.0
[/CIF]
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