The compound described by CuSCN crystallizes in the trigonal R3m 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 CIF card [CIF]
data_CuCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.915
_cell_length_c   5.915
_cell_angle_alpha   38.019
_cell_angle_beta   38.019
_cell_angle_gamma   38.019
_symmetry_Int_Tables_number   1
_cell_volume   70.481
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  C  C1  1  0.188  0.188  0.188  1.0
  S  S2  1  0.289  0.289  0.289  1.0
  N  N3  1  0.116  0.116  0.116  1.0
[/CIF]
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The compound described by CuSCN crystallizes in the trigonal R3m 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 CIF card [CIF]
data_CuCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.915
_cell_length_c   5.915
_cell_angle_alpha   38.019
_cell_angle_beta   38.019
_cell_angle_gamma   38.019
_symmetry_Int_Tables_number   1
_cell_volume   70.481
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  C  C1  1  0.188  0.188  0.188  1.0
  S  S2  1  0.289  0.289  0.289  1.0
  N  N3  1  0.116  0.116  0.116  1.0
[/CIF]
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