The material described by ThLaCN 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 La(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent La(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. La(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form LaC3N3 octahedra that share corners with six equivalent Th(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent La(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. C(1) is bonded to three equivalent Th(1) and three equivalent La(1) atoms to form CLa3Th3 octahedra that share corners with six equivalent N(1)La3Th3 octahedra, edges with six equivalent C(1)La3Th3 octahedra, and edges with six equivalent N(1)La3Th3 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Th(1) and three equivalent La(1) atoms to form NLa3Th3 octahedra that share corners with six equivalent C(1)La3Th3 octahedra, edges with six equivalent C(1)La3Th3 octahedra, and edges with six equivalent N(1)La3Th3 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   6.531
_cell_length_c   6.531
_cell_angle_alpha   33.685
_cell_angle_beta   33.685
_cell_angle_gamma   33.685
_symmetry_Int_Tables_number   1
_cell_volume   76.348
_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
  La  La0  1  0.999  0.999  0.999  1.0
  Th  Th1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.757  0.757  0.757  1.0
  N  N3  1  0.244  0.244  0.244  1.0
[/CIF]
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The material described by ThLaCN 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 La(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent La(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. La(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form LaC3N3 octahedra that share corners with six equivalent Th(1)C3N3 octahedra, edges with six equivalent Th(1)C3N3 octahedra, and edges with six equivalent La(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. C(1) is bonded to three equivalent Th(1) and three equivalent La(1) atoms to form CLa3Th3 octahedra that share corners with six equivalent N(1)La3Th3 octahedra, edges with six equivalent C(1)La3Th3 octahedra, and edges with six equivalent N(1)La3Th3 octahedra. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Th(1) and three equivalent La(1) atoms to form NLa3Th3 octahedra that share corners with six equivalent C(1)La3Th3 octahedra, edges with six equivalent C(1)La3Th3 octahedra, and edges with six equivalent N(1)La3Th3 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   6.531
_cell_length_c   6.531
_cell_angle_alpha   33.685
_cell_angle_beta   33.685
_cell_angle_gamma   33.685
_symmetry_Int_Tables_number   1
_cell_volume   76.348
_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
  La  La0  1  0.999  0.999  0.999  1.0
  Th  Th1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.757  0.757  0.757  1.0
  N  N3  1  0.244  0.244  0.244  1.0
[/CIF]
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