The material described by Y4N2Se3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1), one Se(1), and two equivalent Se(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(1), two equivalent Se(1), and three equivalent Se(2) atoms. N(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form NY4 tetrahedra that share  a cornercorner with one Se(1)Y6 octahedra, corners with seven equivalent Se(2)Y5 square pyramids, corners with two equivalent N(1)Y4 tetrahedra, edges with two equivalent Se(1)Y6 octahedra,  an edgeedge with one Se(2)Y5 square pyramid, and edges with two equivalent N(1)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Y(1) and four equivalent Y(2) atoms to form SeY6 octahedra that share corners with four equivalent Se(2)Y5 square pyramids, corners with two equivalent N(1)Y4 tetrahedra, edges with two equivalent Se(1)Y6 octahedra, edges with six equivalent Se(2)Y5 square pyramids, and edges with four equivalent N(1)Y4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form SeY5 square pyramids that share corners with two equivalent Se(1)Y6 octahedra, corners with seven equivalent N(1)Y4 tetrahedra, edges with three equivalent Se(1)Y6 octahedra, edges with four equivalent Se(2)Y5 square pyramids, and  an edgeedge with one N(1)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.940
_cell_length_b   3.929
_cell_length_c   10.418
_cell_angle_alpha   90.000
_cell_angle_beta   51.277
_cell_angle_gamma   73.558
_symmetry_Int_Tables_number   1
_cell_volume   206.528
_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
  Y  Y0  1  0.235  0.882  0.641  1.0
  Y  Y1  1  0.765  0.118  0.359  1.0
  Y  Y2  1  0.580  0.710  0.152  1.0
  Y  Y3  1  0.420  0.290  0.848  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.788  0.606  0.775  1.0
  Se  Se6  1  0.212  0.394  0.225  1.0
  N  N7  1  0.569  0.715  0.362  1.0
  N  N8  1  0.431  0.285  0.638  1.0
[/CIF]
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The material described by Y4N2Se3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1), one Se(1), and two equivalent Se(2) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(1), two equivalent Se(1), and three equivalent Se(2) atoms. N(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form NY4 tetrahedra that share  a cornercorner with one Se(1)Y6 octahedra, corners with seven equivalent Se(2)Y5 square pyramids, corners with two equivalent N(1)Y4 tetrahedra, edges with two equivalent Se(1)Y6 octahedra,  an edgeedge with one Se(2)Y5 square pyramid, and edges with two equivalent N(1)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Y(1) and four equivalent Y(2) atoms to form SeY6 octahedra that share corners with four equivalent Se(2)Y5 square pyramids, corners with two equivalent N(1)Y4 tetrahedra, edges with two equivalent Se(1)Y6 octahedra, edges with six equivalent Se(2)Y5 square pyramids, and edges with four equivalent N(1)Y4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Y(1) and three equivalent Y(2) atoms to form SeY5 square pyramids that share corners with two equivalent Se(1)Y6 octahedra, corners with seven equivalent N(1)Y4 tetrahedra, edges with three equivalent Se(1)Y6 octahedra, edges with four equivalent Se(2)Y5 square pyramids, and  an edgeedge with one N(1)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.940
_cell_length_b   3.929
_cell_length_c   10.418
_cell_angle_alpha   90.000
_cell_angle_beta   51.277
_cell_angle_gamma   73.558
_symmetry_Int_Tables_number   1
_cell_volume   206.528
_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
  Y  Y0  1  0.235  0.882  0.641  1.0
  Y  Y1  1  0.765  0.118  0.359  1.0
  Y  Y2  1  0.580  0.710  0.152  1.0
  Y  Y3  1  0.420  0.290  0.848  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.788  0.606  0.775  1.0
  Se  Se6  1  0.212  0.394  0.225  1.0
  N  N7  1  0.569  0.715  0.362  1.0
  N  N8  1  0.431  0.285  0.638  1.0
[/CIF]
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