The material structure described by CuSCN crystallizes in the hexagonal P6_3mc space group. Cu(1) is bonded to one N(1) and three equivalent S(1) atoms to form corner-sharing CuS3N tetrahedra. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Cu(1) and one C(1) atom. S(1) is bonded to three equivalent Cu(1) and one C(1) atom to form corner-sharing SCu3C tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.840
_cell_length_b   3.840
_cell_length_c   10.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   139.872
_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
  Cu  Cu0  1  0.667  0.333  0.500  1.0
  Cu  Cu1  1  0.333  0.667  0.000  1.0
  C  C2  1  0.333  0.667  0.280  1.0
  C  C3  1  0.667  0.333  0.780  1.0
  S  S4  1  0.667  0.333  0.932  1.0
  S  S5  1  0.333  0.667  0.432  1.0
  N  N6  1  0.667  0.333  0.673  1.0
  N  N7  1  0.333  0.667  0.173  1.0
[/CIF]
.
The material structure described by CuSCN crystallizes in the hexagonal P6_3mc space group. Cu(1) is bonded to one N(1) and three equivalent S(1) atoms to form corner-sharing CuS3N tetrahedra. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Cu(1) and one C(1) atom. S(1) is bonded to three equivalent Cu(1) and one C(1) atom to form corner-sharing SCu3C tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.840
_cell_length_b   3.840
_cell_length_c   10.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   139.872
_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
  Cu  Cu0  1  0.667  0.333  0.500  1.0
  Cu  Cu1  1  0.333  0.667  0.000  1.0
  C  C2  1  0.333  0.667  0.280  1.0
  C  C3  1  0.667  0.333  0.780  1.0
  S  S4  1  0.667  0.333  0.932  1.0
  S  S5  1  0.333  0.667  0.432  1.0
  N  N6  1  0.667  0.333  0.673  1.0
  N  N7  1  0.333  0.667  0.173  1.0
[/CIF]
.