The material described by CsN3S2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), two equivalent S(1), and two equivalent S(2) atoms. There are three inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one S(1), and one S(2) atom. In the second N site, N(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one S(1) atom. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cs(1), one N(2), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one N(1), and one N(3) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one Cs(2), one N(2), and one N(3) atom. is represented by the CIF file [CIF]
data_CsS2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.179
_cell_length_b   12.970
_cell_length_c   11.063
_cell_angle_alpha   90.000
_cell_angle_beta   97.963
_cell_angle_gamma   37.540
_symmetry_Int_Tables_number   1
_cell_volume   696.359
_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
  Cs  Cs0  1  0.000  0.902  0.750  1.0
  Cs  Cs1  1  0.000  0.098  0.250  1.0
  Cs  Cs2  1  0.000  0.567  0.750  1.0
  Cs  Cs3  1  0.000  0.433  0.250  1.0
  S  S4  1  0.176  0.575  0.053  1.0
  S  S5  1  0.824  0.752  0.447  1.0
  S  S6  1  0.824  0.425  0.947  1.0
  S  S7  1  0.176  0.248  0.553  1.0
  S  S8  1  0.354  0.580  0.298  1.0
  S  S9  1  0.646  0.935  0.202  1.0
  S  S10  1  0.646  0.420  0.702  1.0
  S  S11  1  0.354  0.065  0.798  1.0
  N  N12  1  0.873  0.303  0.020  1.0
  N  N13  1  0.127  0.176  0.480  1.0
  N  N14  1  0.127  0.697  0.980  1.0
  N  N15  1  0.873  0.824  0.520  1.0
  N  N16  1  0.871  0.205  0.731  1.0
  N  N17  1  0.129  0.075  0.769  1.0
  N  N18  1  0.129  0.795  0.269  1.0
  N  N19  1  0.871  0.925  0.231  1.0
  N  N20  1  0.266  0.212  0.705  1.0
  N  N21  1  0.734  0.478  0.795  1.0
  N  N22  1  0.734  0.788  0.295  1.0
  N  N23  1  0.266  0.522  0.205  1.0
[/CIF]
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The material described by CsN3S2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), two equivalent S(1), and two equivalent S(2) atoms. There are three inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one S(1), and one S(2) atom. In the second N site, N(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one S(1) atom. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cs(1), one N(2), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one N(1), and one N(3) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one Cs(2), one N(2), and one N(3) atom. is represented by the CIF file [CIF]
data_CsS2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.179
_cell_length_b   12.970
_cell_length_c   11.063
_cell_angle_alpha   90.000
_cell_angle_beta   97.963
_cell_angle_gamma   37.540
_symmetry_Int_Tables_number   1
_cell_volume   696.359
_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
  Cs  Cs0  1  0.000  0.902  0.750  1.0
  Cs  Cs1  1  0.000  0.098  0.250  1.0
  Cs  Cs2  1  0.000  0.567  0.750  1.0
  Cs  Cs3  1  0.000  0.433  0.250  1.0
  S  S4  1  0.176  0.575  0.053  1.0
  S  S5  1  0.824  0.752  0.447  1.0
  S  S6  1  0.824  0.425  0.947  1.0
  S  S7  1  0.176  0.248  0.553  1.0
  S  S8  1  0.354  0.580  0.298  1.0
  S  S9  1  0.646  0.935  0.202  1.0
  S  S10  1  0.646  0.420  0.702  1.0
  S  S11  1  0.354  0.065  0.798  1.0
  N  N12  1  0.873  0.303  0.020  1.0
  N  N13  1  0.127  0.176  0.480  1.0
  N  N14  1  0.127  0.697  0.980  1.0
  N  N15  1  0.873  0.824  0.520  1.0
  N  N16  1  0.871  0.205  0.731  1.0
  N  N17  1  0.129  0.075  0.769  1.0
  N  N18  1  0.129  0.795  0.269  1.0
  N  N19  1  0.871  0.925  0.231  1.0
  N  N20  1  0.266  0.212  0.705  1.0
  N  N21  1  0.734  0.478  0.795  1.0
  N  N22  1  0.734  0.788  0.295  1.0
  N  N23  1  0.266  0.522  0.205  1.0
[/CIF]
.