The material structure described by CS2(S)12 is Tetraauricupride structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane molecules and three CS2 clusters. In each CS2 cluster, C(1) is bonded in a linear geometry to two equivalent S(3) atoms. S(3) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   7.453
_cell_angle_alpha   94.476
_cell_angle_beta   94.476
_cell_angle_gamma   94.476
_symmetry_Int_Tables_number   1
_cell_volume   410.000
_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
  C  C0  1  0.500  0.500  0.500  1.0
  S  S1  1  0.224  0.224  0.839  1.0
  S  S2  1  0.839  0.224  0.224  1.0
  S  S3  1  0.161  0.776  0.776  1.0
  S  S4  1  0.776  0.161  0.776  1.0
  S  S5  1  0.776  0.776  0.161  1.0
  S  S6  1  0.303  0.697  0.000  1.0
  S  S7  1  0.000  0.303  0.697  1.0
  S  S8  1  0.697  0.000  0.303  1.0
  S  S9  1  0.697  0.303  0.000  1.0
  S  S10  1  0.000  0.697  0.303  1.0
  S  S11  1  0.303  0.000  0.697  1.0
  S  S12  1  0.369  0.369  0.369  1.0
  S  S13  1  0.631  0.631  0.631  1.0
  S  S14  1  0.224  0.839  0.224  1.0
[/CIF]
.
The material structure described by CS2(S)12 is Tetraauricupride structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane molecules and three CS2 clusters. In each CS2 cluster, C(1) is bonded in a linear geometry to two equivalent S(3) atoms. S(3) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_CS14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   7.453
_cell_angle_alpha   94.476
_cell_angle_beta   94.476
_cell_angle_gamma   94.476
_symmetry_Int_Tables_number   1
_cell_volume   410.000
_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
  C  C0  1  0.500  0.500  0.500  1.0
  S  S1  1  0.224  0.224  0.839  1.0
  S  S2  1  0.839  0.224  0.224  1.0
  S  S3  1  0.161  0.776  0.776  1.0
  S  S4  1  0.776  0.161  0.776  1.0
  S  S5  1  0.776  0.776  0.161  1.0
  S  S6  1  0.303  0.697  0.000  1.0
  S  S7  1  0.000  0.303  0.697  1.0
  S  S8  1  0.697  0.000  0.303  1.0
  S  S9  1  0.697  0.303  0.000  1.0
  S  S10  1  0.000  0.697  0.303  1.0
  S  S11  1  0.303  0.000  0.697  1.0
  S  S12  1  0.369  0.369  0.369  1.0
  S  S13  1  0.631  0.631  0.631  1.0
  S  S14  1  0.224  0.839  0.224  1.0
[/CIF]
.