The material structure described by Bi4N2S3 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 S(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent S(1) atoms. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(1), one S(1), and two equivalent S(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 S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Bi(2) and two equivalent Bi(3) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_Bi4S3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   11.091
_cell_length_c   10.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   831.600
_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  0.595  0.250  0.815  1.0
  Bi  Bi1  1  0.095  0.250  0.685  1.0
  Bi  Bi2  1  0.405  0.750  0.185  1.0
  Bi  Bi3  1  0.905  0.750  0.315  1.0
  Bi  Bi4  1  0.734  0.250  0.457  1.0
  Bi  Bi5  1  0.234  0.250  0.043  1.0
  Bi  Bi6  1  0.266  0.750  0.543  1.0
  Bi  Bi7  1  0.766  0.750  0.957  1.0
  Bi  Bi8  1  0.691  0.442  0.092  1.0
  Bi  Bi9  1  0.191  0.058  0.408  1.0
  Bi  Bi10  1  0.309  0.942  0.908  1.0
  Bi  Bi11  1  0.809  0.558  0.592  1.0
  Bi  Bi12  1  0.309  0.558  0.908  1.0
  Bi  Bi13  1  0.809  0.942  0.592  1.0
  Bi  Bi14  1  0.691  0.058  0.092  1.0
  Bi  Bi15  1  0.191  0.442  0.408  1.0
  S  S16  1  0.963  0.250  0.271  1.0
  S  S17  1  0.463  0.250  0.229  1.0
  S  S18  1  0.037  0.750  0.729  1.0
  S  S19  1  0.537  0.750  0.771  1.0
  S  S20  1  0.610  0.574  0.370  1.0
  S  S21  1  0.110  0.926  0.130  1.0
  S  S22  1  0.390  0.074  0.630  1.0
  S  S23  1  0.890  0.426  0.870  1.0
  S  S24  1  0.390  0.426  0.630  1.0
  S  S25  1  0.890  0.074  0.870  1.0
  S  S26  1  0.610  0.926  0.370  1.0
  S  S27  1  0.110  0.574  0.130  1.0
  N  N28  1  0.554  0.621  0.045  1.0
  N  N29  1  0.054  0.879  0.455  1.0
  N  N30  1  0.446  0.121  0.955  1.0
  N  N31  1  0.946  0.379  0.545  1.0
  N  N32  1  0.446  0.379  0.955  1.0
  N  N33  1  0.946  0.121  0.545  1.0
  N  N34  1  0.554  0.879  0.045  1.0
  N  N35  1  0.054  0.621  0.455  1.0
[/CIF]
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The material structure described by Bi4N2S3 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 S(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent S(1) atoms. In the third Bi site, Bi(3) is bonded in a 2-coordinate geometry to two equivalent N(1), one S(1), and two equivalent S(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 S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Bi(2) and two equivalent Bi(3) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_Bi4S3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   11.091
_cell_length_c   10.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   831.600
_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  0.595  0.250  0.815  1.0
  Bi  Bi1  1  0.095  0.250  0.685  1.0
  Bi  Bi2  1  0.405  0.750  0.185  1.0
  Bi  Bi3  1  0.905  0.750  0.315  1.0
  Bi  Bi4  1  0.734  0.250  0.457  1.0
  Bi  Bi5  1  0.234  0.250  0.043  1.0
  Bi  Bi6  1  0.266  0.750  0.543  1.0
  Bi  Bi7  1  0.766  0.750  0.957  1.0
  Bi  Bi8  1  0.691  0.442  0.092  1.0
  Bi  Bi9  1  0.191  0.058  0.408  1.0
  Bi  Bi10  1  0.309  0.942  0.908  1.0
  Bi  Bi11  1  0.809  0.558  0.592  1.0
  Bi  Bi12  1  0.309  0.558  0.908  1.0
  Bi  Bi13  1  0.809  0.942  0.592  1.0
  Bi  Bi14  1  0.691  0.058  0.092  1.0
  Bi  Bi15  1  0.191  0.442  0.408  1.0
  S  S16  1  0.963  0.250  0.271  1.0
  S  S17  1  0.463  0.250  0.229  1.0
  S  S18  1  0.037  0.750  0.729  1.0
  S  S19  1  0.537  0.750  0.771  1.0
  S  S20  1  0.610  0.574  0.370  1.0
  S  S21  1  0.110  0.926  0.130  1.0
  S  S22  1  0.390  0.074  0.630  1.0
  S  S23  1  0.890  0.426  0.870  1.0
  S  S24  1  0.390  0.426  0.630  1.0
  S  S25  1  0.890  0.074  0.870  1.0
  S  S26  1  0.610  0.926  0.370  1.0
  S  S27  1  0.110  0.574  0.130  1.0
  N  N28  1  0.554  0.621  0.045  1.0
  N  N29  1  0.054  0.879  0.455  1.0
  N  N30  1  0.446  0.121  0.955  1.0
  N  N31  1  0.946  0.379  0.545  1.0
  N  N32  1  0.446  0.379  0.955  1.0
  N  N33  1  0.946  0.121  0.545  1.0
  N  N34  1  0.554  0.879  0.045  1.0
  N  N35  1  0.054  0.621  0.455  1.0
[/CIF]
.