The material described by K3SbS3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing SK6Sb pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.492
_cell_length_b   9.492
_cell_length_c   9.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.314
_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
  K  K0  1  0.440  0.940  0.560  1.0
  K  K1  1  0.940  0.560  0.440  1.0
  K  K2  1  0.560  0.440  0.940  1.0
  K  K3  1  0.060  0.060  0.060  1.0
  K  K4  1  0.935  0.435  0.065  1.0
  K  K5  1  0.435  0.065  0.935  1.0
  K  K6  1  0.065  0.935  0.435  1.0
  K  K7  1  0.565  0.565  0.565  1.0
  K  K8  1  0.677  0.177  0.323  1.0
  K  K9  1  0.177  0.323  0.677  1.0
  K  K10  1  0.323  0.677  0.177  1.0
  K  K11  1  0.823  0.823  0.823  1.0
  Sb  Sb12  1  0.221  0.721  0.779  1.0
  Sb  Sb13  1  0.721  0.779  0.221  1.0
  Sb  Sb14  1  0.779  0.221  0.721  1.0
  Sb  Sb15  1  0.279  0.279  0.279  1.0
  S  S16  1  0.151  0.967  0.754  1.0
  S  S17  1  0.246  0.651  0.533  1.0
  S  S18  1  0.467  0.746  0.849  1.0
  S  S19  1  0.651  0.533  0.246  1.0
  S  S20  1  0.746  0.849  0.467  1.0
  S  S21  1  0.967  0.754  0.151  1.0
  S  S22  1  0.849  0.467  0.746  1.0
  S  S23  1  0.754  0.151  0.967  1.0
  S  S24  1  0.533  0.246  0.651  1.0
  S  S25  1  0.349  0.033  0.254  1.0
  S  S26  1  0.254  0.349  0.033  1.0
  S  S27  1  0.033  0.254  0.349  1.0
[/CIF]
.
The material described by K3SbS3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing SK6Sb pentagonal bipyramids. is represented by the CIF file [CIF]
data_K3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.492
_cell_length_b   9.492
_cell_length_c   9.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.314
_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
  K  K0  1  0.440  0.940  0.560  1.0
  K  K1  1  0.940  0.560  0.440  1.0
  K  K2  1  0.560  0.440  0.940  1.0
  K  K3  1  0.060  0.060  0.060  1.0
  K  K4  1  0.935  0.435  0.065  1.0
  K  K5  1  0.435  0.065  0.935  1.0
  K  K6  1  0.065  0.935  0.435  1.0
  K  K7  1  0.565  0.565  0.565  1.0
  K  K8  1  0.677  0.177  0.323  1.0
  K  K9  1  0.177  0.323  0.677  1.0
  K  K10  1  0.323  0.677  0.177  1.0
  K  K11  1  0.823  0.823  0.823  1.0
  Sb  Sb12  1  0.221  0.721  0.779  1.0
  Sb  Sb13  1  0.721  0.779  0.221  1.0
  Sb  Sb14  1  0.779  0.221  0.721  1.0
  Sb  Sb15  1  0.279  0.279  0.279  1.0
  S  S16  1  0.151  0.967  0.754  1.0
  S  S17  1  0.246  0.651  0.533  1.0
  S  S18  1  0.467  0.746  0.849  1.0
  S  S19  1  0.651  0.533  0.246  1.0
  S  S20  1  0.746  0.849  0.467  1.0
  S  S21  1  0.967  0.754  0.151  1.0
  S  S22  1  0.849  0.467  0.746  1.0
  S  S23  1  0.754  0.151  0.967  1.0
  S  S24  1  0.533  0.246  0.651  1.0
  S  S25  1  0.349  0.033  0.254  1.0
  S  S26  1  0.254  0.349  0.033  1.0
  S  S27  1  0.033  0.254  0.349  1.0
[/CIF]
.