The crystal structure described by Cu3SbS3 crystallizes in the cubic I-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted L-shaped geometry to two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form corner-sharing CuS4 tetrahedra. Sb(1) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Sb(1) atom to form distorted corner-sharing SCu3Sb tetrahedra. is represented by the CIF card [CIF]
data_Cu3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.736
_cell_length_b   8.736
_cell_length_c   8.736
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   513.212
_cell_formula_units_Z   4
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  0.816  0.816  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.500  0.250  0.750  1.0
  Cu  Cu3  1  0.750  0.500  0.250  1.0
  Cu  Cu4  1  0.000  0.184  0.184  1.0
  Cu  Cu5  1  0.184  0.184  0.000  1.0
  Cu  Cu6  1  0.184  0.000  0.184  1.0
  Cu  Cu7  1  0.250  0.750  0.500  1.0
  Cu  Cu8  1  0.816  0.000  0.816  1.0
  Cu  Cu9  1  0.250  0.500  0.750  1.0
  Cu  Cu10  1  0.500  0.750  0.250  1.0
  Cu  Cu11  1  0.000  0.816  0.816  1.0
  Sb  Sb12  1  0.000  0.450  0.000  1.0
  Sb  Sb13  1  0.450  0.000  0.000  1.0
  Sb  Sb14  1  0.550  0.550  0.550  1.0
  Sb  Sb15  1  0.000  0.000  0.450  1.0
  S  S16  1  0.226  0.471  0.471  1.0
  S  S17  1  0.000  0.755  0.529  1.0
  S  S18  1  0.774  0.245  0.245  1.0
  S  S19  1  0.471  0.471  0.226  1.0
  S  S20  1  0.245  0.774  0.245  1.0
  S  S21  1  0.471  0.226  0.471  1.0
  S  S22  1  0.000  0.529  0.755  1.0
  S  S23  1  0.755  0.529  0.000  1.0
  S  S24  1  0.755  0.000  0.529  1.0
  S  S25  1  0.245  0.245  0.774  1.0
  S  S26  1  0.529  0.755  0.000  1.0
  S  S27  1  0.529  0.000  0.755  1.0
[/CIF]
.
The crystal structure described by Cu3SbS3 crystallizes in the cubic I-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted L-shaped geometry to two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form corner-sharing CuS4 tetrahedra. Sb(1) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Sb(1) atom to form distorted corner-sharing SCu3Sb tetrahedra. is represented by the CIF card [CIF]
data_Cu3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.736
_cell_length_b   8.736
_cell_length_c   8.736
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   513.212
_cell_formula_units_Z   4
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  0.816  0.816  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.500  0.250  0.750  1.0
  Cu  Cu3  1  0.750  0.500  0.250  1.0
  Cu  Cu4  1  0.000  0.184  0.184  1.0
  Cu  Cu5  1  0.184  0.184  0.000  1.0
  Cu  Cu6  1  0.184  0.000  0.184  1.0
  Cu  Cu7  1  0.250  0.750  0.500  1.0
  Cu  Cu8  1  0.816  0.000  0.816  1.0
  Cu  Cu9  1  0.250  0.500  0.750  1.0
  Cu  Cu10  1  0.500  0.750  0.250  1.0
  Cu  Cu11  1  0.000  0.816  0.816  1.0
  Sb  Sb12  1  0.000  0.450  0.000  1.0
  Sb  Sb13  1  0.450  0.000  0.000  1.0
  Sb  Sb14  1  0.550  0.550  0.550  1.0
  Sb  Sb15  1  0.000  0.000  0.450  1.0
  S  S16  1  0.226  0.471  0.471  1.0
  S  S17  1  0.000  0.755  0.529  1.0
  S  S18  1  0.774  0.245  0.245  1.0
  S  S19  1  0.471  0.471  0.226  1.0
  S  S20  1  0.245  0.774  0.245  1.0
  S  S21  1  0.471  0.226  0.471  1.0
  S  S22  1  0.000  0.529  0.755  1.0
  S  S23  1  0.755  0.529  0.000  1.0
  S  S24  1  0.755  0.000  0.529  1.0
  S  S25  1  0.245  0.245  0.774  1.0
  S  S26  1  0.529  0.755  0.000  1.0
  S  S27  1  0.529  0.000  0.755  1.0
[/CIF]
.