The material structure described by CsCu3S2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent S(1) atoms to form edge-sharing CsS6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to three equivalent Cs(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-82°. is represented by the CIF file [CIF]
data_CsCu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   6.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.599
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  S  S4  1  0.667  0.333  0.770  1.0
  S  S5  1  0.333  0.667  0.230  1.0
[/CIF]
.
The material structure described by CsCu3S2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent S(1) atoms to form edge-sharing CsS6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to three equivalent Cs(1) and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 0-82°. is represented by the CIF file [CIF]
data_CsCu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   6.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   162.599
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  S  S4  1  0.667  0.333  0.770  1.0
  S  S5  1  0.333  0.667  0.230  1.0
[/CIF]
.