The crystal structure described by KHgSbS3 crystallizes in the monoclinic C2/c space group. K(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Hg(2), and one Sb(1) atom. In the second S site, S(2) is bonded to three equivalent K(1), one Hg(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SK3HgSb trigonal bipyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one K(1), one Hg(1), one Hg(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_KHgSbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.437
_cell_length_b   6.437
_cell_length_c   17.623
_cell_angle_alpha   79.663
_cell_angle_beta   79.663
_cell_angle_gamma   90.746
_symmetry_Int_Tables_number   1
_cell_volume   705.841
_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  0.765  0.591  0.916  1.0
  K  K1  1  0.235  0.409  0.084  1.0
  K  K2  1  0.409  0.235  0.584  1.0
  K  K3  1  0.591  0.765  0.416  1.0
  Hg  Hg4  1  0.637  0.363  0.250  1.0
  Hg  Hg5  1  0.363  0.637  0.750  1.0
  Hg  Hg6  1  0.163  0.837  0.250  1.0
  Hg  Hg7  1  0.837  0.163  0.750  1.0
  Sb  Sb8  1  0.943  0.710  0.599  1.0
  Sb  Sb9  1  0.290  0.057  0.901  1.0
  Sb  Sb10  1  0.057  0.290  0.401  1.0
  Sb  Sb11  1  0.710  0.943  0.099  1.0
  S  S12  1  0.892  0.323  0.608  1.0
  S  S13  1  0.733  0.323  0.107  1.0
  S  S14  1  0.323  0.733  0.607  1.0
  S  S15  1  0.267  0.677  0.893  1.0
  S  S16  1  0.323  0.892  0.108  1.0
  S  S17  1  0.108  0.677  0.392  1.0
  S  S18  1  0.677  0.108  0.892  1.0
  S  S19  1  0.267  0.211  0.767  1.0
  S  S20  1  0.789  0.733  0.733  1.0
  S  S21  1  0.733  0.789  0.233  1.0
  S  S22  1  0.211  0.267  0.267  1.0
  S  S23  1  0.677  0.267  0.393  1.0
[/CIF]
.
The crystal structure described by KHgSbS3 crystallizes in the monoclinic C2/c space group. K(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(3) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Hg(2), and one Sb(1) atom. In the second S site, S(2) is bonded to three equivalent K(1), one Hg(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SK3HgSb trigonal bipyramids. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to one K(1), one Hg(1), one Hg(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_KHgSbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.437
_cell_length_b   6.437
_cell_length_c   17.623
_cell_angle_alpha   79.663
_cell_angle_beta   79.663
_cell_angle_gamma   90.746
_symmetry_Int_Tables_number   1
_cell_volume   705.841
_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  0.765  0.591  0.916  1.0
  K  K1  1  0.235  0.409  0.084  1.0
  K  K2  1  0.409  0.235  0.584  1.0
  K  K3  1  0.591  0.765  0.416  1.0
  Hg  Hg4  1  0.637  0.363  0.250  1.0
  Hg  Hg5  1  0.363  0.637  0.750  1.0
  Hg  Hg6  1  0.163  0.837  0.250  1.0
  Hg  Hg7  1  0.837  0.163  0.750  1.0
  Sb  Sb8  1  0.943  0.710  0.599  1.0
  Sb  Sb9  1  0.290  0.057  0.901  1.0
  Sb  Sb10  1  0.057  0.290  0.401  1.0
  Sb  Sb11  1  0.710  0.943  0.099  1.0
  S  S12  1  0.892  0.323  0.608  1.0
  S  S13  1  0.733  0.323  0.107  1.0
  S  S14  1  0.323  0.733  0.607  1.0
  S  S15  1  0.267  0.677  0.893  1.0
  S  S16  1  0.323  0.892  0.108  1.0
  S  S17  1  0.108  0.677  0.392  1.0
  S  S18  1  0.677  0.108  0.892  1.0
  S  S19  1  0.267  0.211  0.767  1.0
  S  S20  1  0.789  0.733  0.733  1.0
  S  S21  1  0.733  0.789  0.233  1.0
  S  S22  1  0.211  0.267  0.267  1.0
  S  S23  1  0.677  0.267  0.393  1.0
[/CIF]
.