The compound described by In4N2Se3 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second In site, In(2) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1), one Se(1), and three equivalent Se(2) atoms. N(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form NIn4 tetrahedra that share corners with two equivalent Se(1)In6 octahedra, corners with two equivalent N(1)In4 tetrahedra, corners with four equivalent Se(2)In5 trigonal bipyramids, edges with two equivalent Se(1)In6 octahedra,  an edgeedge with one N(1)In4 tetrahedra, and edges with three equivalent Se(2)In5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form distorted SeIn6 octahedra that share corners with four equivalent N(1)In4 tetrahedra, corners with ten equivalent Se(2)In5 trigonal bipyramids, edges with two equivalent Se(1)In6 octahedra, edges with four equivalent N(1)In4 tetrahedra, and edges with two equivalent Se(2)In5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent In(1) and three equivalent In(2) atoms to form distorted SeIn5 trigonal bipyramids that share corners with five equivalent Se(1)In6 octahedra, corners with four equivalent N(1)In4 tetrahedra, corners with four equivalent Se(2)In5 trigonal bipyramids,  an edgeedge with one Se(1)In6 octahedra, edges with three equivalent N(1)In4 tetrahedra, and edges with two equivalent Se(2)In5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-75°. is represented by the CIF card [CIF]
data_In4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.224
_cell_length_b   14.527
_cell_length_c   3.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.989
_cell_formula_units_Z   2
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
  In  In0  1  0.695  0.936  0.500  1.0
  In  In1  1  0.305  0.064  0.500  1.0
  In  In2  1  0.195  0.564  0.000  1.0
  In  In3  1  0.805  0.436  0.000  1.0
  In  In4  1  0.802  0.649  0.500  1.0
  In  In5  1  0.198  0.351  0.500  1.0
  In  In6  1  0.302  0.851  0.000  1.0
  In  In7  1  0.698  0.149  0.000  1.0
  Se  Se8  1  0.500  0.500  0.500  1.0
  Se  Se9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.827  0.289  0.500  1.0
  Se  Se11  1  0.173  0.711  0.500  1.0
  Se  Se12  1  0.327  0.211  0.000  1.0
  Se  Se13  1  0.673  0.789  0.000  1.0
  N  N14  1  0.620  0.080  0.500  1.0
  N  N15  1  0.380  0.920  0.500  1.0
  N  N16  1  0.120  0.420  0.000  1.0
  N  N17  1  0.880  0.580  0.000  1.0
[/CIF]
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The compound described by In4N2Se3 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second In site, In(2) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1), one Se(1), and three equivalent Se(2) atoms. N(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form NIn4 tetrahedra that share corners with two equivalent Se(1)In6 octahedra, corners with two equivalent N(1)In4 tetrahedra, corners with four equivalent Se(2)In5 trigonal bipyramids, edges with two equivalent Se(1)In6 octahedra,  an edgeedge with one N(1)In4 tetrahedra, and edges with three equivalent Se(2)In5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form distorted SeIn6 octahedra that share corners with four equivalent N(1)In4 tetrahedra, corners with ten equivalent Se(2)In5 trigonal bipyramids, edges with two equivalent Se(1)In6 octahedra, edges with four equivalent N(1)In4 tetrahedra, and edges with two equivalent Se(2)In5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent In(1) and three equivalent In(2) atoms to form distorted SeIn5 trigonal bipyramids that share corners with five equivalent Se(1)In6 octahedra, corners with four equivalent N(1)In4 tetrahedra, corners with four equivalent Se(2)In5 trigonal bipyramids,  an edgeedge with one Se(1)In6 octahedra, edges with three equivalent N(1)In4 tetrahedra, and edges with two equivalent Se(2)In5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-75°. is represented by the CIF card [CIF]
data_In4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.224
_cell_length_b   14.527
_cell_length_c   3.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.989
_cell_formula_units_Z   2
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
  In  In0  1  0.695  0.936  0.500  1.0
  In  In1  1  0.305  0.064  0.500  1.0
  In  In2  1  0.195  0.564  0.000  1.0
  In  In3  1  0.805  0.436  0.000  1.0
  In  In4  1  0.802  0.649  0.500  1.0
  In  In5  1  0.198  0.351  0.500  1.0
  In  In6  1  0.302  0.851  0.000  1.0
  In  In7  1  0.698  0.149  0.000  1.0
  Se  Se8  1  0.500  0.500  0.500  1.0
  Se  Se9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.827  0.289  0.500  1.0
  Se  Se11  1  0.173  0.711  0.500  1.0
  Se  Se12  1  0.327  0.211  0.000  1.0
  Se  Se13  1  0.673  0.789  0.000  1.0
  N  N14  1  0.620  0.080  0.500  1.0
  N  N15  1  0.380  0.920  0.500  1.0
  N  N16  1  0.120  0.420  0.000  1.0
  N  N17  1  0.880  0.580  0.000  1.0
[/CIF]
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