The material structure described by K3SbS4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), and four equivalent S(3) atoms. In the second K site, K(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted KS6 pentagonal pyramids that share corners with seven equivalent K(2)S6 pentagonal pyramids, corners with two equivalent Sb(1)S4 tetrahedra, edges with three equivalent K(2)S6 pentagonal pyramids, and edges with two equivalent Sb(1)S4 tetrahedra. Sb(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SbS4 tetrahedra that share corners with four equivalent K(2)S6 pentagonal pyramids and edges with four equivalent K(2)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one Sb(1) atom to form distorted corner-sharing SK4Sb trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Sb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   7.825
_cell_length_c   7.825
_cell_angle_alpha   93.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.469
_cell_formula_units_Z   2
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  0.020  0.303  0.697  1.0
  K  K1  1  0.520  0.697  0.303  1.0
  K  K2  1  0.513  0.185  0.255  1.0
  K  K3  1  0.013  0.815  0.745  1.0
  K  K4  1  0.513  0.745  0.815  1.0
  K  K5  1  0.013  0.255  0.185  1.0
  Sb  Sb6  1  0.518  0.243  0.757  1.0
  Sb  Sb7  1  0.018  0.757  0.243  1.0
  S  S8  1  0.157  0.574  0.426  1.0
  S  S9  1  0.657  0.426  0.574  1.0
  S  S10  1  0.227  0.908  0.092  1.0
  S  S11  1  0.727  0.092  0.908  1.0
  S  S12  1  0.845  0.953  0.405  1.0
  S  S13  1  0.345  0.047  0.595  1.0
  S  S14  1  0.845  0.595  0.047  1.0
  S  S15  1  0.345  0.405  0.953  1.0
[/CIF]
.
The material structure described by K3SbS4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), and four equivalent S(3) atoms. In the second K site, K(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted KS6 pentagonal pyramids that share corners with seven equivalent K(2)S6 pentagonal pyramids, corners with two equivalent Sb(1)S4 tetrahedra, edges with three equivalent K(2)S6 pentagonal pyramids, and edges with two equivalent Sb(1)S4 tetrahedra. Sb(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SbS4 tetrahedra that share corners with four equivalent K(2)S6 pentagonal pyramids and edges with four equivalent K(2)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), two equivalent K(2), and one Sb(1) atom to form distorted corner-sharing SK4Sb trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Sb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   7.825
_cell_length_c   7.825
_cell_angle_alpha   93.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.469
_cell_formula_units_Z   2
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  0.020  0.303  0.697  1.0
  K  K1  1  0.520  0.697  0.303  1.0
  K  K2  1  0.513  0.185  0.255  1.0
  K  K3  1  0.013  0.815  0.745  1.0
  K  K4  1  0.513  0.745  0.815  1.0
  K  K5  1  0.013  0.255  0.185  1.0
  Sb  Sb6  1  0.518  0.243  0.757  1.0
  Sb  Sb7  1  0.018  0.757  0.243  1.0
  S  S8  1  0.157  0.574  0.426  1.0
  S  S9  1  0.657  0.426  0.574  1.0
  S  S10  1  0.227  0.908  0.092  1.0
  S  S11  1  0.727  0.092  0.908  1.0
  S  S12  1  0.845  0.953  0.405  1.0
  S  S13  1  0.345  0.047  0.595  1.0
  S  S14  1  0.845  0.595  0.047  1.0
  S  S15  1  0.345  0.405  0.953  1.0
[/CIF]
.