The structure described by Bi4N2Se3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent Se(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent Se(1) atoms. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(1), one Se(1), and three equivalent Se(2) atoms. N(1) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form edge-sharing NBi4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Bi(2) and two equivalent Bi(3) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Bi(1) and three equivalent Bi(3) atoms. is represented by the CIF file [CIF]
data_Bi4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   11.152
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   888.113
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.590  0.250  0.816  1.0
  Bi  Bi1  1  0.090  0.250  0.684  1.0
  Bi  Bi2  1  0.410  0.750  0.184  1.0
  Bi  Bi3  1  0.910  0.750  0.316  1.0
  Bi  Bi4  1  0.739  0.250  0.465  1.0
  Bi  Bi5  1  0.239  0.250  0.035  1.0
  Bi  Bi6  1  0.261  0.750  0.535  1.0
  Bi  Bi7  1  0.761  0.750  0.965  1.0
  Bi  Bi8  1  0.678  0.444  0.098  1.0
  Bi  Bi9  1  0.178  0.056  0.402  1.0
  Bi  Bi10  1  0.322  0.944  0.902  1.0
  Bi  Bi11  1  0.822  0.556  0.598  1.0
  Bi  Bi12  1  0.322  0.556  0.902  1.0
  Bi  Bi13  1  0.822  0.944  0.598  1.0
  Bi  Bi14  1  0.678  0.056  0.098  1.0
  Bi  Bi15  1  0.178  0.444  0.402  1.0
  Se  Se16  1  0.953  0.250  0.264  1.0
  Se  Se17  1  0.453  0.250  0.236  1.0
  Se  Se18  1  0.047  0.750  0.736  1.0
  Se  Se19  1  0.547  0.750  0.764  1.0
  Se  Se20  1  0.607  0.565  0.361  1.0
  Se  Se21  1  0.107  0.935  0.139  1.0
  Se  Se22  1  0.393  0.065  0.639  1.0
  Se  Se23  1  0.893  0.435  0.861  1.0
  Se  Se24  1  0.393  0.435  0.639  1.0
  Se  Se25  1  0.893  0.065  0.861  1.0
  Se  Se26  1  0.607  0.935  0.361  1.0
  Se  Se27  1  0.107  0.565  0.139  1.0
  N  N28  1  0.550  0.622  0.044  1.0
  N  N29  1  0.050  0.878  0.456  1.0
  N  N30  1  0.450  0.122  0.956  1.0
  N  N31  1  0.950  0.378  0.544  1.0
  N  N32  1  0.450  0.378  0.956  1.0
  N  N33  1  0.950  0.122  0.544  1.0
  N  N34  1  0.550  0.878  0.044  1.0
  N  N35  1  0.050  0.622  0.456  1.0
[/CIF]
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The structure described by Bi4N2Se3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent Se(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent Se(1) atoms. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(1), one Se(1), and three equivalent Se(2) atoms. N(1) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form edge-sharing NBi4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Bi(2) and two equivalent Bi(3) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Bi(1) and three equivalent Bi(3) atoms. is represented by the CIF file [CIF]
data_Bi4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   11.152
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   888.113
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.590  0.250  0.816  1.0
  Bi  Bi1  1  0.090  0.250  0.684  1.0
  Bi  Bi2  1  0.410  0.750  0.184  1.0
  Bi  Bi3  1  0.910  0.750  0.316  1.0
  Bi  Bi4  1  0.739  0.250  0.465  1.0
  Bi  Bi5  1  0.239  0.250  0.035  1.0
  Bi  Bi6  1  0.261  0.750  0.535  1.0
  Bi  Bi7  1  0.761  0.750  0.965  1.0
  Bi  Bi8  1  0.678  0.444  0.098  1.0
  Bi  Bi9  1  0.178  0.056  0.402  1.0
  Bi  Bi10  1  0.322  0.944  0.902  1.0
  Bi  Bi11  1  0.822  0.556  0.598  1.0
  Bi  Bi12  1  0.322  0.556  0.902  1.0
  Bi  Bi13  1  0.822  0.944  0.598  1.0
  Bi  Bi14  1  0.678  0.056  0.098  1.0
  Bi  Bi15  1  0.178  0.444  0.402  1.0
  Se  Se16  1  0.953  0.250  0.264  1.0
  Se  Se17  1  0.453  0.250  0.236  1.0
  Se  Se18  1  0.047  0.750  0.736  1.0
  Se  Se19  1  0.547  0.750  0.764  1.0
  Se  Se20  1  0.607  0.565  0.361  1.0
  Se  Se21  1  0.107  0.935  0.139  1.0
  Se  Se22  1  0.393  0.065  0.639  1.0
  Se  Se23  1  0.893  0.435  0.861  1.0
  Se  Se24  1  0.393  0.435  0.639  1.0
  Se  Se25  1  0.893  0.065  0.861  1.0
  Se  Se26  1  0.607  0.935  0.361  1.0
  Se  Se27  1  0.107  0.565  0.139  1.0
  N  N28  1  0.550  0.622  0.044  1.0
  N  N29  1  0.050  0.878  0.456  1.0
  N  N30  1  0.450  0.122  0.956  1.0
  N  N31  1  0.950  0.378  0.544  1.0
  N  N32  1  0.450  0.378  0.956  1.0
  N  N33  1  0.950  0.122  0.544  1.0
  N  N34  1  0.550  0.878  0.044  1.0
  N  N35  1  0.050  0.622  0.456  1.0
[/CIF]
.