The structure described by (In2Se3)6N2Se crystallizes in the trigonal R-3 space group. The structure consists of three 7782-49-2 atoms and six ammonia atoms inside a In2Se3 framework. In the In2Se3 framework, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(3), and two equivalent Se(4) atoms to form corner-sharing InSe4 tetrahedra. In the second In site, In(2) is bonded to two equivalent Se(1) and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing InSe4 trigonal pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(2) atoms. In the second Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent In(2) atoms. In the third Se site, Se(4) is bonded in a water-like geometry to two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In12Se19N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.066
_cell_length_b   10.066
_cell_length_c   10.066
_cell_angle_alpha   87.605
_cell_angle_beta   87.605
_cell_angle_gamma   87.605
_symmetry_Int_Tables_number   1
_cell_volume   1017.239
_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
  In  In0  1  0.723  0.201  0.628  1.0
  In  In1  1  0.201  0.628  0.723  1.0
  In  In2  1  0.628  0.723  0.201  1.0
  In  In3  1  0.277  0.799  0.372  1.0
  In  In4  1  0.799  0.372  0.277  1.0
  In  In5  1  0.372  0.277  0.799  1.0
  In  In6  1  0.660  0.086  0.032  1.0
  In  In7  1  0.086  0.032  0.660  1.0
  In  In8  1  0.032  0.660  0.086  1.0
  In  In9  1  0.340  0.914  0.968  1.0
  In  In10  1  0.914  0.968  0.340  1.0
  In  In11  1  0.968  0.340  0.914  1.0
  Se  Se12  1  0.846  0.960  0.619  1.0
  Se  Se13  1  0.960  0.619  0.846  1.0
  Se  Se14  1  0.619  0.846  0.960  1.0
  Se  Se15  1  0.154  0.040  0.381  1.0
  Se  Se16  1  0.040  0.381  0.154  1.0
  Se  Se17  1  0.381  0.154  0.040  1.0
  Se  Se18  1  0.000  0.000  0.000  1.0
  Se  Se19  1  0.716  0.293  0.877  1.0
  Se  Se20  1  0.293  0.877  0.716  1.0
  Se  Se21  1  0.877  0.716  0.293  1.0
  Se  Se22  1  0.284  0.707  0.123  1.0
  Se  Se23  1  0.707  0.123  0.284  1.0
  Se  Se24  1  0.123  0.284  0.707  1.0
  Se  Se25  1  0.476  0.161  0.594  1.0
  Se  Se26  1  0.161  0.594  0.476  1.0
  Se  Se27  1  0.594  0.476  0.161  1.0
  Se  Se28  1  0.524  0.839  0.406  1.0
  Se  Se29  1  0.839  0.406  0.524  1.0
  Se  Se30  1  0.406  0.524  0.839  1.0
  N  N31  1  0.343  0.343  0.343  1.0
  N  N32  1  0.657  0.657  0.657  1.0
[/CIF]
.
The structure described by (In2Se3)6N2Se crystallizes in the trigonal R-3 space group. The structure consists of three 7782-49-2 atoms and six ammonia atoms inside a In2Se3 framework. In the In2Se3 framework, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(3), and two equivalent Se(4) atoms to form corner-sharing InSe4 tetrahedra. In the second In site, In(2) is bonded to two equivalent Se(1) and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing InSe4 trigonal pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(2) atoms. In the second Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent In(2) atoms. In the third Se site, Se(4) is bonded in a water-like geometry to two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In12Se19N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.066
_cell_length_b   10.066
_cell_length_c   10.066
_cell_angle_alpha   87.605
_cell_angle_beta   87.605
_cell_angle_gamma   87.605
_symmetry_Int_Tables_number   1
_cell_volume   1017.239
_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
  In  In0  1  0.723  0.201  0.628  1.0
  In  In1  1  0.201  0.628  0.723  1.0
  In  In2  1  0.628  0.723  0.201  1.0
  In  In3  1  0.277  0.799  0.372  1.0
  In  In4  1  0.799  0.372  0.277  1.0
  In  In5  1  0.372  0.277  0.799  1.0
  In  In6  1  0.660  0.086  0.032  1.0
  In  In7  1  0.086  0.032  0.660  1.0
  In  In8  1  0.032  0.660  0.086  1.0
  In  In9  1  0.340  0.914  0.968  1.0
  In  In10  1  0.914  0.968  0.340  1.0
  In  In11  1  0.968  0.340  0.914  1.0
  Se  Se12  1  0.846  0.960  0.619  1.0
  Se  Se13  1  0.960  0.619  0.846  1.0
  Se  Se14  1  0.619  0.846  0.960  1.0
  Se  Se15  1  0.154  0.040  0.381  1.0
  Se  Se16  1  0.040  0.381  0.154  1.0
  Se  Se17  1  0.381  0.154  0.040  1.0
  Se  Se18  1  0.000  0.000  0.000  1.0
  Se  Se19  1  0.716  0.293  0.877  1.0
  Se  Se20  1  0.293  0.877  0.716  1.0
  Se  Se21  1  0.877  0.716  0.293  1.0
  Se  Se22  1  0.284  0.707  0.123  1.0
  Se  Se23  1  0.707  0.123  0.284  1.0
  Se  Se24  1  0.123  0.284  0.707  1.0
  Se  Se25  1  0.476  0.161  0.594  1.0
  Se  Se26  1  0.161  0.594  0.476  1.0
  Se  Se27  1  0.594  0.476  0.161  1.0
  Se  Se28  1  0.524  0.839  0.406  1.0
  Se  Se29  1  0.839  0.406  0.524  1.0
  Se  Se30  1  0.406  0.524  0.839  1.0
  N  N31  1  0.343  0.343  0.343  1.0
  N  N32  1  0.657  0.657  0.657  1.0
[/CIF]
.