The material structure described by N6S5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to two equivalent N(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_S5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.684
_cell_length_b   7.684
_cell_length_c   7.918
_cell_angle_alpha   80.460
_cell_angle_beta   80.460
_cell_angle_gamma   102.719
_symmetry_Int_Tables_number   1
_cell_volume   439.629
_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
  S  S0  1  0.284  0.448  0.823  1.0
  S  S1  1  0.552  0.716  0.677  1.0
  S  S2  1  0.716  0.552  0.177  1.0
  S  S3  1  0.448  0.284  0.323  1.0
  S  S4  1  0.247  0.676  0.515  1.0
  S  S5  1  0.324  0.753  0.985  1.0
  S  S6  1  0.753  0.324  0.485  1.0
  S  S7  1  0.676  0.247  0.015  1.0
  S  S8  1  0.093  0.907  0.750  1.0
  S  S9  1  0.907  0.093  0.250  1.0
  N  N10  1  0.464  0.757  0.508  1.0
  N  N11  1  0.243  0.536  0.992  1.0
  N  N12  1  0.536  0.243  0.492  1.0
  N  N13  1  0.757  0.464  0.008  1.0
  N  N14  1  0.182  0.486  0.663  1.0
  N  N15  1  0.514  0.818  0.837  1.0
  N  N16  1  0.818  0.514  0.337  1.0
  N  N17  1  0.486  0.182  0.163  1.0
  N  N18  1  0.132  0.830  0.582  1.0
  N  N19  1  0.170  0.868  0.918  1.0
  N  N20  1  0.830  0.132  0.082  1.0
  N  N21  1  0.868  0.170  0.418  1.0
[/CIF]
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The material structure described by N6S5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one S(2) and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to two equivalent N(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_S5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.684
_cell_length_b   7.684
_cell_length_c   7.918
_cell_angle_alpha   80.460
_cell_angle_beta   80.460
_cell_angle_gamma   102.719
_symmetry_Int_Tables_number   1
_cell_volume   439.629
_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
  S  S0  1  0.284  0.448  0.823  1.0
  S  S1  1  0.552  0.716  0.677  1.0
  S  S2  1  0.716  0.552  0.177  1.0
  S  S3  1  0.448  0.284  0.323  1.0
  S  S4  1  0.247  0.676  0.515  1.0
  S  S5  1  0.324  0.753  0.985  1.0
  S  S6  1  0.753  0.324  0.485  1.0
  S  S7  1  0.676  0.247  0.015  1.0
  S  S8  1  0.093  0.907  0.750  1.0
  S  S9  1  0.907  0.093  0.250  1.0
  N  N10  1  0.464  0.757  0.508  1.0
  N  N11  1  0.243  0.536  0.992  1.0
  N  N12  1  0.536  0.243  0.492  1.0
  N  N13  1  0.757  0.464  0.008  1.0
  N  N14  1  0.182  0.486  0.663  1.0
  N  N15  1  0.514  0.818  0.837  1.0
  N  N16  1  0.818  0.514  0.337  1.0
  N  N17  1  0.486  0.182  0.163  1.0
  N  N18  1  0.132  0.830  0.582  1.0
  N  N19  1  0.170  0.868  0.918  1.0
  N  N20  1  0.830  0.132  0.082  1.0
  N  N21  1  0.868  0.170  0.418  1.0
[/CIF]
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