The material structure described by ThSmN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Th(1) is bonded to six equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Sm(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Sm(1)N6 octahedra. The corner-sharing octahedral tilt angles are 2°. Sm(1) is bonded to six equivalent N(1) atoms to form SmN6 octahedra that share corners with six equivalent Th(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Sm(1)N6 octahedra. The corner-sharing octahedral tilt angles are 2°. N(1) is bonded to three equivalent Th(1) and three equivalent Sm(1) atoms to form a mixture of edge and corner-sharing NSm3Th3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SmThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   33.802
_cell_angle_beta   33.802
_cell_angle_gamma   33.802
_symmetry_Int_Tables_number   1
_cell_volume   67.140
_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
  Sm  Sm0  1  0.500  0.500  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.253  0.253  0.253  1.0
  N  N3  1  0.747  0.747  0.747  1.0
[/CIF]
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The material structure described by ThSmN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Th(1) is bonded to six equivalent N(1) atoms to form ThN6 octahedra that share corners with six equivalent Sm(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Sm(1)N6 octahedra. The corner-sharing octahedral tilt angles are 2°. Sm(1) is bonded to six equivalent N(1) atoms to form SmN6 octahedra that share corners with six equivalent Th(1)N6 octahedra, edges with six equivalent Th(1)N6 octahedra, and edges with six equivalent Sm(1)N6 octahedra. The corner-sharing octahedral tilt angles are 2°. N(1) is bonded to three equivalent Th(1) and three equivalent Sm(1) atoms to form a mixture of edge and corner-sharing NSm3Th3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SmThN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   6.244
_cell_length_c   6.244
_cell_angle_alpha   33.802
_cell_angle_beta   33.802
_cell_angle_gamma   33.802
_symmetry_Int_Tables_number   1
_cell_volume   67.140
_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
  Sm  Sm0  1  0.500  0.500  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.253  0.253  0.253  1.0
  N  N3  1  0.747  0.747  0.747  1.0
[/CIF]
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