The material structure described by ClSCN is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClSCN clusters. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted tetrahedral geometry to one C(2), one N(1), one S(2), and one Cl(2) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one Cl(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal non-coplanar geometry to one C(1), 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 C(2) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one C(1) and one N(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CSNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.949
_cell_length_b   6.693
_cell_length_c   7.772
_cell_angle_alpha   65.651
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.084
_cell_formula_units_Z   8
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
  C  C0  1  0.946  0.182  0.839  1.0
  C  C1  1  0.375  0.461  0.207  1.0
  C  C2  1  0.054  0.818  0.161  1.0
  C  C3  1  0.875  0.039  0.793  1.0
  C  C4  1  0.446  0.318  0.161  1.0
  C  C5  1  0.554  0.682  0.839  1.0
  C  C6  1  0.625  0.539  0.793  1.0
  C  C7  1  0.125  0.961  0.207  1.0
  S  S8  1  0.136  0.272  0.864  1.0
  S  S9  1  0.364  0.772  0.864  1.0
  S  S10  1  0.636  0.228  0.136  1.0
  S  S11  1  0.928  0.148  0.086  1.0
  S  S12  1  0.428  0.352  0.914  1.0
  S  S13  1  0.572  0.648  0.086  1.0
  S  S14  1  0.072  0.852  0.914  1.0
  S  S15  1  0.864  0.728  0.136  1.0
  N  N16  1  0.047  0.128  0.806  1.0
  N  N17  1  0.338  0.639  0.086  1.0
  N  N18  1  0.838  0.861  0.914  1.0
  N  N19  1  0.162  0.139  0.086  1.0
  N  N20  1  0.453  0.628  0.806  1.0
  N  N21  1  0.662  0.361  0.914  1.0
  N  N22  1  0.547  0.372  0.194  1.0
  N  N23  1  0.953  0.872  0.194  1.0
  Cl  Cl24  1  0.161  0.872  0.441  1.0
  Cl  Cl25  1  0.839  0.128  0.559  1.0
  Cl  Cl26  1  0.425  0.034  0.292  1.0
  Cl  Cl27  1  0.339  0.372  0.441  1.0
  Cl  Cl28  1  0.661  0.628  0.559  1.0
  Cl  Cl29  1  0.575  0.966  0.708  1.0
  Cl  Cl30  1  0.925  0.466  0.708  1.0
  Cl  Cl31  1  0.075  0.534  0.292  1.0
[/CIF]
.
The material structure described by ClSCN is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClSCN clusters. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted tetrahedral geometry to one C(2), one N(1), one S(2), and one Cl(2) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one Cl(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal non-coplanar geometry to one C(1), 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 C(2) and one S(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one C(1) and one N(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CSNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.949
_cell_length_b   6.693
_cell_length_c   7.772
_cell_angle_alpha   65.651
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.084
_cell_formula_units_Z   8
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
  C  C0  1  0.946  0.182  0.839  1.0
  C  C1  1  0.375  0.461  0.207  1.0
  C  C2  1  0.054  0.818  0.161  1.0
  C  C3  1  0.875  0.039  0.793  1.0
  C  C4  1  0.446  0.318  0.161  1.0
  C  C5  1  0.554  0.682  0.839  1.0
  C  C6  1  0.625  0.539  0.793  1.0
  C  C7  1  0.125  0.961  0.207  1.0
  S  S8  1  0.136  0.272  0.864  1.0
  S  S9  1  0.364  0.772  0.864  1.0
  S  S10  1  0.636  0.228  0.136  1.0
  S  S11  1  0.928  0.148  0.086  1.0
  S  S12  1  0.428  0.352  0.914  1.0
  S  S13  1  0.572  0.648  0.086  1.0
  S  S14  1  0.072  0.852  0.914  1.0
  S  S15  1  0.864  0.728  0.136  1.0
  N  N16  1  0.047  0.128  0.806  1.0
  N  N17  1  0.338  0.639  0.086  1.0
  N  N18  1  0.838  0.861  0.914  1.0
  N  N19  1  0.162  0.139  0.086  1.0
  N  N20  1  0.453  0.628  0.806  1.0
  N  N21  1  0.662  0.361  0.914  1.0
  N  N22  1  0.547  0.372  0.194  1.0
  N  N23  1  0.953  0.872  0.194  1.0
  Cl  Cl24  1  0.161  0.872  0.441  1.0
  Cl  Cl25  1  0.839  0.128  0.559  1.0
  Cl  Cl26  1  0.425  0.034  0.292  1.0
  Cl  Cl27  1  0.339  0.372  0.441  1.0
  Cl  Cl28  1  0.661  0.628  0.559  1.0
  Cl  Cl29  1  0.575  0.966  0.708  1.0
  Cl  Cl30  1  0.925  0.466  0.708  1.0
  Cl  Cl31  1  0.075  0.534  0.292  1.0
[/CIF]
.