The crystal structure described by Th2N2Se crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a 7-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. N(1) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent Se(1)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with three equivalent Se(1)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. Se(1) is bonded to six equivalent Th(1) atoms to form SeTh6 octahedra that share corners with twelve equivalent N(1)Th4 tetrahedra, edges with six equivalent Se(1)Th6 octahedra, and edges with six equivalent N(1)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   7.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.646
_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
  Th  Th0  1  0.667  0.333  0.704  1.0
  Th  Th1  1  0.333  0.667  0.296  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.333  0.667  0.626  1.0
  N  N4  1  0.667  0.333  0.374  1.0
[/CIF]
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The crystal structure described by Th2N2Se crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a 7-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. N(1) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent Se(1)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with three equivalent Se(1)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. Se(1) is bonded to six equivalent Th(1) atoms to form SeTh6 octahedra that share corners with twelve equivalent N(1)Th4 tetrahedra, edges with six equivalent Se(1)Th6 octahedra, and edges with six equivalent N(1)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   7.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.646
_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
  Th  Th0  1  0.667  0.333  0.704  1.0
  Th  Th1  1  0.333  0.667  0.296  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.333  0.667  0.626  1.0
  N  N4  1  0.667  0.333  0.374  1.0
[/CIF]
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