The crystal structure described by K2Hg6S7 crystallizes in the tetragonal P-42_1m space group. K(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one S(3) and two equivalent S(2) atoms. In the second Hg site, Hg(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing HgS4 trigonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1) and three equivalent Hg(2) atoms to form a mixture of distorted edge and corner-sharing SK2Hg3 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1) and two equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_K2Hg6S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   13.960
_cell_length_c   13.961
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   801.477
_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  0.235  0.171  0.671  1.0
  K  K1  1  0.235  0.829  0.329  1.0
  K  K2  1  0.765  0.671  0.829  1.0
  K  K3  1  0.765  0.329  0.171  1.0
  Hg  Hg4  1  0.277  0.598  0.098  1.0
  Hg  Hg5  1  0.277  0.402  0.902  1.0
  Hg  Hg6  1  0.723  0.098  0.402  1.0
  Hg  Hg7  1  0.723  0.902  0.598  1.0
  Hg  Hg8  1  0.238  0.068  0.159  1.0
  Hg  Hg9  1  0.238  0.932  0.841  1.0
  Hg  Hg10  1  0.762  0.159  0.932  1.0
  Hg  Hg11  1  0.762  0.432  0.659  1.0
  Hg  Hg12  1  0.762  0.841  0.068  1.0
  Hg  Hg13  1  0.762  0.568  0.341  1.0
  Hg  Hg14  1  0.238  0.341  0.432  1.0
  Hg  Hg15  1  0.238  0.659  0.568  1.0
  S  S16  1  0.253  0.197  0.036  1.0
  S  S17  1  0.253  0.803  0.964  1.0
  S  S18  1  0.747  0.036  0.803  1.0
  S  S19  1  0.747  0.303  0.536  1.0
  S  S20  1  0.747  0.964  0.197  1.0
  S  S21  1  0.747  0.697  0.464  1.0
  S  S22  1  0.253  0.464  0.303  1.0
  S  S23  1  0.253  0.536  0.697  1.0
  S  S24  1  0.667  0.686  0.186  1.0
  S  S25  1  0.667  0.314  0.814  1.0
  S  S26  1  0.333  0.186  0.314  1.0
  S  S27  1  0.333  0.814  0.686  1.0
  S  S28  1  0.064  0.000  0.500  1.0
  S  S29  1  0.936  0.500  1.000  1.0
[/CIF]
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The crystal structure described by K2Hg6S7 crystallizes in the tetragonal P-42_1m space group. K(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one S(3) and two equivalent S(2) atoms. In the second Hg site, Hg(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing HgS4 trigonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1) and three equivalent Hg(2) atoms to form a mixture of distorted edge and corner-sharing SK2Hg3 square pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1) and two equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_K2Hg6S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.112
_cell_length_b   13.960
_cell_length_c   13.961
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   801.477
_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  0.235  0.171  0.671  1.0
  K  K1  1  0.235  0.829  0.329  1.0
  K  K2  1  0.765  0.671  0.829  1.0
  K  K3  1  0.765  0.329  0.171  1.0
  Hg  Hg4  1  0.277  0.598  0.098  1.0
  Hg  Hg5  1  0.277  0.402  0.902  1.0
  Hg  Hg6  1  0.723  0.098  0.402  1.0
  Hg  Hg7  1  0.723  0.902  0.598  1.0
  Hg  Hg8  1  0.238  0.068  0.159  1.0
  Hg  Hg9  1  0.238  0.932  0.841  1.0
  Hg  Hg10  1  0.762  0.159  0.932  1.0
  Hg  Hg11  1  0.762  0.432  0.659  1.0
  Hg  Hg12  1  0.762  0.841  0.068  1.0
  Hg  Hg13  1  0.762  0.568  0.341  1.0
  Hg  Hg14  1  0.238  0.341  0.432  1.0
  Hg  Hg15  1  0.238  0.659  0.568  1.0
  S  S16  1  0.253  0.197  0.036  1.0
  S  S17  1  0.253  0.803  0.964  1.0
  S  S18  1  0.747  0.036  0.803  1.0
  S  S19  1  0.747  0.303  0.536  1.0
  S  S20  1  0.747  0.964  0.197  1.0
  S  S21  1  0.747  0.697  0.464  1.0
  S  S22  1  0.253  0.464  0.303  1.0
  S  S23  1  0.253  0.536  0.697  1.0
  S  S24  1  0.667  0.686  0.186  1.0
  S  S25  1  0.667  0.314  0.814  1.0
  S  S26  1  0.333  0.186  0.314  1.0
  S  S27  1  0.333  0.814  0.686  1.0
  S  S28  1  0.064  0.000  0.500  1.0
  S  S29  1  0.936  0.500  1.000  1.0
[/CIF]
.