The material structure described by Hg4GeS6 crystallizes in the monoclinic Cc space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form distorted HgS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(4)S4 trigonal pyramids, and corners with three equivalent Hg(3)S4 trigonal pyramids. In the second Hg site, Hg(2) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form HgS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(1)S4 tetrahedra, corners with two equivalent Hg(3)S4 trigonal pyramids, and corners with three equivalent Hg(4)S4 trigonal pyramids. In the third Hg site, Hg(3) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(1)S4 tetrahedra, and corners with three equivalent Hg(4)S4 trigonal pyramids. In the fourth Hg site, Hg(4) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with three equivalent Hg(3)S4 trigonal pyramids. Ge(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form GeS4 tetrahedra that share corners with two equivalent Hg(1)S4 tetrahedra, corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(3)S4 trigonal pyramids, and corners with two equivalent Hg(4)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Hg(4), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(3), and one Ge(1) atom. In the third S site, S(3) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Ge(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Ge(1) atom. In the sixth S site, S(6) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. is represented by the CIF card [CIF]
data_Hg4GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.308
_cell_length_c   12.680
_cell_angle_alpha   90.748
_cell_angle_beta   106.367
_cell_angle_gamma   119.237
_symmetry_Int_Tables_number   1
_cell_volume   557.720
_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
  Hg  Hg0  1  0.089  0.233  0.510  1.0
  Hg  Hg1  1  0.777  0.421  0.010  1.0
  Hg  Hg2  1  0.454  0.940  0.503  1.0
  Hg  Hg3  1  0.063  0.049  0.003  1.0
  Hg  Hg4  1  0.765  0.681  0.693  1.0
  Hg  Hg5  1  0.511  0.928  0.193  1.0
  Hg  Hg6  1  0.421  0.820  0.845  1.0
  Hg  Hg7  1  0.524  0.424  0.345  1.0
  Ge  Ge8  1  0.935  0.281  0.759  1.0
  Ge  Ge9  1  0.978  0.824  0.259  1.0
  S  S10  1  0.568  0.117  0.708  1.0
  S  S11  1  0.091  0.140  0.208  1.0
  S  S12  1  0.066  0.098  0.698  1.0
  S  S13  1  0.101  0.633  0.198  1.0
  S  S14  1  0.444  0.061  0.006  1.0
  S  S15  1  0.445  0.562  0.506  1.0
  S  S16  1  0.056  0.577  0.682  1.0
  S  S17  1  0.606  0.626  0.182  1.0
  S  S18  1  0.090  0.396  0.943  1.0
  S  S19  1  0.047  0.853  0.443  1.0
  S  S20  1  0.720  0.701  0.886  1.0
  S  S21  1  0.686  0.166  0.386  1.0
[/CIF]
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The material structure described by Hg4GeS6 crystallizes in the monoclinic Cc space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form distorted HgS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(4)S4 trigonal pyramids, and corners with three equivalent Hg(3)S4 trigonal pyramids. In the second Hg site, Hg(2) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form HgS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(1)S4 tetrahedra, corners with two equivalent Hg(3)S4 trigonal pyramids, and corners with three equivalent Hg(4)S4 trigonal pyramids. In the third Hg site, Hg(3) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(1)S4 tetrahedra, and corners with three equivalent Hg(4)S4 trigonal pyramids. In the fourth Hg site, Hg(4) is bonded to one S(1), one S(3), one S(4), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with three equivalent Hg(3)S4 trigonal pyramids. Ge(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form GeS4 tetrahedra that share corners with two equivalent Hg(1)S4 tetrahedra, corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(3)S4 trigonal pyramids, and corners with two equivalent Hg(4)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Hg(4), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(3), and one Ge(1) atom. In the third S site, S(3) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Ge(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Ge(1) atom. In the sixth S site, S(6) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. is represented by the CIF card [CIF]
data_Hg4GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.308
_cell_length_c   12.680
_cell_angle_alpha   90.748
_cell_angle_beta   106.367
_cell_angle_gamma   119.237
_symmetry_Int_Tables_number   1
_cell_volume   557.720
_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
  Hg  Hg0  1  0.089  0.233  0.510  1.0
  Hg  Hg1  1  0.777  0.421  0.010  1.0
  Hg  Hg2  1  0.454  0.940  0.503  1.0
  Hg  Hg3  1  0.063  0.049  0.003  1.0
  Hg  Hg4  1  0.765  0.681  0.693  1.0
  Hg  Hg5  1  0.511  0.928  0.193  1.0
  Hg  Hg6  1  0.421  0.820  0.845  1.0
  Hg  Hg7  1  0.524  0.424  0.345  1.0
  Ge  Ge8  1  0.935  0.281  0.759  1.0
  Ge  Ge9  1  0.978  0.824  0.259  1.0
  S  S10  1  0.568  0.117  0.708  1.0
  S  S11  1  0.091  0.140  0.208  1.0
  S  S12  1  0.066  0.098  0.698  1.0
  S  S13  1  0.101  0.633  0.198  1.0
  S  S14  1  0.444  0.061  0.006  1.0
  S  S15  1  0.445  0.562  0.506  1.0
  S  S16  1  0.056  0.577  0.682  1.0
  S  S17  1  0.606  0.626  0.182  1.0
  S  S18  1  0.090  0.396  0.943  1.0
  S  S19  1  0.047  0.853  0.443  1.0
  S  S20  1  0.720  0.701  0.886  1.0
  S  S21  1  0.686  0.166  0.386  1.0
[/CIF]
.