The compound described by K2HgS2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Hg(1), one S(2), and four equivalent S(1) atoms. In the second K site, K(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge, corner, and face-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 50°. Hg(1) is bonded in a distorted linear geometry to one K(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), four equivalent K(1), and one Hg(1) atom to form distorted SK6Hg pentagonal bipyramids that share corners with four equivalent S(1)K6Hg pentagonal bipyramids, corners with four equivalent S(2)K5Hg pentagonal pyramids, edges with two equivalent S(1)K6Hg pentagonal bipyramids, edges with three equivalent S(2)K5Hg pentagonal pyramids, faces with two equivalent S(1)K6Hg pentagonal bipyramids, and  a faceface with one S(2)K5Hg pentagonal pyramid. In the second S site, S(2) is bonded to one K(1), four equivalent K(2), and one Hg(1) atom to form distorted SK5Hg pentagonal pyramids that share corners with four equivalent S(1)K6Hg pentagonal bipyramids, corners with four equivalent S(2)K5Hg pentagonal pyramids, edges with three equivalent S(1)K6Hg pentagonal bipyramids, edges with four equivalent S(2)K5Hg pentagonal pyramids, and  a faceface with one S(1)K6Hg pentagonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.092
_cell_length_b   8.063
_cell_length_c   10.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.139
_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  0.750  0.952  0.112  1.0
  K  K1  1  0.250  0.548  0.112  1.0
  K  K2  1  0.500  0.250  0.605  1.0
  K  K3  1  0.000  0.250  0.605  1.0
  K  K4  1  0.500  0.750  0.395  1.0
  K  K5  1  0.000  0.750  0.395  1.0
  K  K6  1  0.250  0.048  0.888  1.0
  K  K7  1  0.750  0.452  0.888  1.0
  Hg  Hg8  1  0.750  0.837  0.715  1.0
  Hg  Hg9  1  0.750  0.337  0.285  1.0
  Hg  Hg10  1  0.250  0.663  0.715  1.0
  Hg  Hg11  1  0.250  0.163  0.285  1.0
  S  S12  1  0.750  0.076  0.835  1.0
  S  S13  1  0.250  0.415  0.392  1.0
  S  S14  1  0.750  0.585  0.608  1.0
  S  S15  1  0.250  0.424  0.835  1.0
  S  S16  1  0.250  0.915  0.608  1.0
  S  S17  1  0.750  0.576  0.165  1.0
  S  S18  1  0.250  0.924  0.165  1.0
  S  S19  1  0.750  0.085  0.392  1.0
[/CIF]
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The compound described by K2HgS2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Hg(1), one S(2), and four equivalent S(1) atoms. In the second K site, K(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge, corner, and face-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 50°. Hg(1) is bonded in a distorted linear geometry to one K(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), four equivalent K(1), and one Hg(1) atom to form distorted SK6Hg pentagonal bipyramids that share corners with four equivalent S(1)K6Hg pentagonal bipyramids, corners with four equivalent S(2)K5Hg pentagonal pyramids, edges with two equivalent S(1)K6Hg pentagonal bipyramids, edges with three equivalent S(2)K5Hg pentagonal pyramids, faces with two equivalent S(1)K6Hg pentagonal bipyramids, and  a faceface with one S(2)K5Hg pentagonal pyramid. In the second S site, S(2) is bonded to one K(1), four equivalent K(2), and one Hg(1) atom to form distorted SK5Hg pentagonal pyramids that share corners with four equivalent S(1)K6Hg pentagonal bipyramids, corners with four equivalent S(2)K5Hg pentagonal pyramids, edges with three equivalent S(1)K6Hg pentagonal bipyramids, edges with four equivalent S(2)K5Hg pentagonal pyramids, and  a faceface with one S(1)K6Hg pentagonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.092
_cell_length_b   8.063
_cell_length_c   10.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   619.139
_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  0.750  0.952  0.112  1.0
  K  K1  1  0.250  0.548  0.112  1.0
  K  K2  1  0.500  0.250  0.605  1.0
  K  K3  1  0.000  0.250  0.605  1.0
  K  K4  1  0.500  0.750  0.395  1.0
  K  K5  1  0.000  0.750  0.395  1.0
  K  K6  1  0.250  0.048  0.888  1.0
  K  K7  1  0.750  0.452  0.888  1.0
  Hg  Hg8  1  0.750  0.837  0.715  1.0
  Hg  Hg9  1  0.750  0.337  0.285  1.0
  Hg  Hg10  1  0.250  0.663  0.715  1.0
  Hg  Hg11  1  0.250  0.163  0.285  1.0
  S  S12  1  0.750  0.076  0.835  1.0
  S  S13  1  0.250  0.415  0.392  1.0
  S  S14  1  0.750  0.585  0.608  1.0
  S  S15  1  0.250  0.424  0.835  1.0
  S  S16  1  0.250  0.915  0.608  1.0
  S  S17  1  0.750  0.576  0.165  1.0
  S  S18  1  0.250  0.924  0.165  1.0
  S  S19  1  0.750  0.085  0.392  1.0
[/CIF]
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