The crystal structure described by K2Hg3(GeS4)2 crystallizes in the monoclinic C2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to two equivalent S(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(4) atoms. In the third Hg site, Hg(3) is bonded in a distorted see-saw-like geometry to two equivalent S(3) and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), one Hg(1), and one Ge(1) atom to form distorted corner-sharing SK2HgGe trigonal pyramids. In the second S site, S(2) is bonded to two equivalent K(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SK2HgGe trigonal pyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(3), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Hg(2), one Hg(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_K2Hg3(GeS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   9.732
_cell_angle_alpha   86.687
_cell_angle_beta   86.687
_cell_angle_gamma   80.671
_symmetry_Int_Tables_number   1
_cell_volume   396.035
_cell_formula_units_Z   1
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  0.619  0.938  0.238  1.0
  K  K1  1  0.062  0.381  0.762  1.0
  Hg  Hg2  1  0.474  0.526  0.000  1.0
  Hg  Hg3  1  0.165  0.835  0.500  1.0
  Hg  Hg4  1  0.652  0.348  0.500  1.0
  Ge  Ge5  1  0.572  0.896  0.730  1.0
  Ge  Ge6  1  0.104  0.428  0.270  1.0
  S  S7  1  0.245  0.288  0.072  1.0
  S  S8  1  0.712  0.755  0.928  1.0
  S  S9  1  0.234  0.848  0.741  1.0
  S  S10  1  0.152  0.766  0.259  1.0
  S  S11  1  0.764  0.395  0.261  1.0
  S  S12  1  0.239  0.263  0.452  1.0
  S  S13  1  0.737  0.761  0.548  1.0
  S  S14  1  0.605  0.236  0.739  1.0
[/CIF]
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The crystal structure described by K2Hg3(GeS4)2 crystallizes in the monoclinic C2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to two equivalent S(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to two equivalent S(2) and two equivalent S(4) atoms. In the third Hg site, Hg(3) is bonded in a distorted see-saw-like geometry to two equivalent S(3) and two equivalent S(4) atoms. Ge(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(1), one Hg(1), and one Ge(1) atom to form distorted corner-sharing SK2HgGe trigonal pyramids. In the second S site, S(2) is bonded to two equivalent K(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SK2HgGe trigonal pyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(3), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Hg(2), one Hg(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_K2Hg3(GeS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   9.732
_cell_angle_alpha   86.687
_cell_angle_beta   86.687
_cell_angle_gamma   80.671
_symmetry_Int_Tables_number   1
_cell_volume   396.035
_cell_formula_units_Z   1
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  0.619  0.938  0.238  1.0
  K  K1  1  0.062  0.381  0.762  1.0
  Hg  Hg2  1  0.474  0.526  0.000  1.0
  Hg  Hg3  1  0.165  0.835  0.500  1.0
  Hg  Hg4  1  0.652  0.348  0.500  1.0
  Ge  Ge5  1  0.572  0.896  0.730  1.0
  Ge  Ge6  1  0.104  0.428  0.270  1.0
  S  S7  1  0.245  0.288  0.072  1.0
  S  S8  1  0.712  0.755  0.928  1.0
  S  S9  1  0.234  0.848  0.741  1.0
  S  S10  1  0.152  0.766  0.259  1.0
  S  S11  1  0.764  0.395  0.261  1.0
  S  S12  1  0.239  0.263  0.452  1.0
  S  S13  1  0.737  0.761  0.548  1.0
  S  S14  1  0.605  0.236  0.739  1.0
[/CIF]
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