The material described by K6HgS4 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted KS4 tetrahedra that share corners with two equivalent Hg(1)K3S4 tetrahedra, corners with eight equivalent K(1)S4 tetrahedra, and  an edgeedge with one Hg(1)K3S4 tetrahedra. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Hg(1), one S(2), and four equivalent S(1) atoms. Hg(1) is bonded to three equivalent K(2), one S(2), and three equivalent S(1) atoms to form distorted HgK3S4 tetrahedra that share corners with six equivalent K(1)S4 tetrahedra and edges with three equivalent K(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to three equivalent K(1), four equivalent K(2), and one Hg(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Hg(1) atom. is represented by the CIF card [CIF]
data_K6HgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   10.008
_cell_length_c   7.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   669.550
_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  0.851  0.703  0.292  1.0
  K  K1  1  0.528  0.057  0.624  1.0
  K  K2  1  0.057  0.528  0.124  1.0
  K  K3  1  0.943  0.472  0.624  1.0
  K  K4  1  0.528  0.472  0.624  1.0
  K  K5  1  0.472  0.943  0.124  1.0
  K  K6  1  0.703  0.851  0.792  1.0
  K  K7  1  0.297  0.149  0.292  1.0
  K  K8  1  0.851  0.149  0.292  1.0
  K  K9  1  0.149  0.297  0.792  1.0
  K  K10  1  0.472  0.528  0.124  1.0
  K  K11  1  0.149  0.851  0.792  1.0
  Hg  Hg12  1  0.667  0.333  0.001  1.0
  Hg  Hg13  1  0.333  0.667  0.501  1.0
  S  S14  1  0.190  0.380  0.398  1.0
  S  S15  1  0.810  0.190  0.898  1.0
  S  S16  1  0.190  0.810  0.398  1.0
  S  S17  1  0.810  0.620  0.898  1.0
  S  S18  1  0.667  0.333  0.344  1.0
  S  S19  1  0.333  0.667  0.844  1.0
  S  S20  1  0.380  0.190  0.898  1.0
  S  S21  1  0.620  0.810  0.398  1.0
[/CIF]
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The material described by K6HgS4 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted KS4 tetrahedra that share corners with two equivalent Hg(1)K3S4 tetrahedra, corners with eight equivalent K(1)S4 tetrahedra, and  an edgeedge with one Hg(1)K3S4 tetrahedra. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Hg(1), one S(2), and four equivalent S(1) atoms. Hg(1) is bonded to three equivalent K(2), one S(2), and three equivalent S(1) atoms to form distorted HgK3S4 tetrahedra that share corners with six equivalent K(1)S4 tetrahedra and edges with three equivalent K(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to three equivalent K(1), four equivalent K(2), and one Hg(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Hg(1) atom. is represented by the CIF card [CIF]
data_K6HgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   10.008
_cell_length_c   7.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   669.550
_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  0.851  0.703  0.292  1.0
  K  K1  1  0.528  0.057  0.624  1.0
  K  K2  1  0.057  0.528  0.124  1.0
  K  K3  1  0.943  0.472  0.624  1.0
  K  K4  1  0.528  0.472  0.624  1.0
  K  K5  1  0.472  0.943  0.124  1.0
  K  K6  1  0.703  0.851  0.792  1.0
  K  K7  1  0.297  0.149  0.292  1.0
  K  K8  1  0.851  0.149  0.292  1.0
  K  K9  1  0.149  0.297  0.792  1.0
  K  K10  1  0.472  0.528  0.124  1.0
  K  K11  1  0.149  0.851  0.792  1.0
  Hg  Hg12  1  0.667  0.333  0.001  1.0
  Hg  Hg13  1  0.333  0.667  0.501  1.0
  S  S14  1  0.190  0.380  0.398  1.0
  S  S15  1  0.810  0.190  0.898  1.0
  S  S16  1  0.190  0.810  0.398  1.0
  S  S17  1  0.810  0.620  0.898  1.0
  S  S18  1  0.667  0.333  0.344  1.0
  S  S19  1  0.333  0.667  0.844  1.0
  S  S20  1  0.380  0.190  0.898  1.0
  S  S21  1  0.620  0.810  0.398  1.0
[/CIF]
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