The material described by Sn2N2Se crystallizes in the trigonal P-3m1 space group. Sn(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 Sn(1) atoms to form NSn4 tetrahedra that share corners with six equivalent Se(1)Sn6 octahedra, corners with six equivalent N(1)Sn4 tetrahedra, edges with three equivalent Se(1)Sn6 octahedra, and edges with three equivalent N(1)Sn4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-45°. Se(1) is bonded to six equivalent Sn(1) atoms to form distorted SeSn6 octahedra that share corners with twelve equivalent N(1)Sn4 tetrahedra, edges with six equivalent Se(1)Sn6 octahedra, and edges with six equivalent N(1)Sn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   3.650
_cell_length_c   7.117
_cell_angle_alpha   90.006
_cell_angle_beta   89.993
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   82.086
_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
  Sn  Sn0  1  0.667  0.333  0.701  1.0
  Sn  Sn1  1  0.333  0.667  0.299  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.667  0.333  0.373  1.0
  N  N4  1  0.333  0.667  0.627  1.0
[/CIF]
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The material described by Sn2N2Se crystallizes in the trigonal P-3m1 space group. Sn(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 Sn(1) atoms to form NSn4 tetrahedra that share corners with six equivalent Se(1)Sn6 octahedra, corners with six equivalent N(1)Sn4 tetrahedra, edges with three equivalent Se(1)Sn6 octahedra, and edges with three equivalent N(1)Sn4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-45°. Se(1) is bonded to six equivalent Sn(1) atoms to form distorted SeSn6 octahedra that share corners with twelve equivalent N(1)Sn4 tetrahedra, edges with six equivalent Se(1)Sn6 octahedra, and edges with six equivalent N(1)Sn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   3.650
_cell_length_c   7.117
_cell_angle_alpha   90.006
_cell_angle_beta   89.993
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   82.086
_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
  Sn  Sn0  1  0.667  0.333  0.701  1.0
  Sn  Sn1  1  0.333  0.667  0.299  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.667  0.333  0.373  1.0
  N  N4  1  0.333  0.667  0.627  1.0
[/CIF]
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