The material described by Rb2Hg3(GeS4)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(4), and two equivalent S(2) atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent Ge(1)S4 tetrahedra and corners with two equivalent Hg(1)S4 trigonal pyramids. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(3) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share corners with four equivalent Hg(1)S4 trigonal pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Hg(1), and one Ge(1) atom. In the third S site, S(3) is bonded to two equivalent Rb(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SRb2HgGe trigonal pyramids. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Rb2Hg3(GeS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   10.164
_cell_length_c   13.471
_cell_angle_alpha   82.149
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   885.202
_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
  Rb  Rb0  1  0.164  0.220  0.693  1.0
  Rb  Rb1  1  0.836  0.780  0.307  1.0
  Rb  Rb2  1  0.664  0.780  0.807  1.0
  Rb  Rb3  1  0.336  0.220  0.193  1.0
  Hg  Hg4  1  0.206  0.502  0.882  1.0
  Hg  Hg5  1  0.794  0.498  0.118  1.0
  Hg  Hg6  1  0.706  0.498  0.618  1.0
  Hg  Hg7  1  0.294  0.502  0.382  1.0
  Hg  Hg8  1  0.500  0.000  0.500  1.0
  Hg  Hg9  1  0.000  0.000  0.000  1.0
  Ge  Ge10  1  0.184  0.717  0.575  1.0
  Ge  Ge11  1  0.816  0.283  0.425  1.0
  Ge  Ge12  1  0.684  0.283  0.925  1.0
  Ge  Ge13  1  0.316  0.717  0.075  1.0
  S  S14  1  0.840  0.727  0.574  1.0
  S  S15  1  0.160  0.273  0.426  1.0
  S  S16  1  0.340  0.273  0.926  1.0
  S  S17  1  0.660  0.727  0.074  1.0
  S  S18  1  0.307  0.542  0.671  1.0
  S  S19  1  0.693  0.458  0.329  1.0
  S  S20  1  0.807  0.458  0.829  1.0
  S  S21  1  0.193  0.542  0.171  1.0
  S  S22  1  0.283  0.909  0.634  1.0
  S  S23  1  0.717  0.091  0.366  1.0
  S  S24  1  0.783  0.091  0.866  1.0
  S  S25  1  0.217  0.909  0.134  1.0
  S  S26  1  0.195  0.736  0.917  1.0
  S  S27  1  0.805  0.264  0.083  1.0
  S  S28  1  0.695  0.264  0.583  1.0
  S  S29  1  0.305  0.736  0.417  1.0
[/CIF]
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The material described by Rb2Hg3(GeS4)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(4), and two equivalent S(2) atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent Ge(1)S4 tetrahedra and corners with two equivalent Hg(1)S4 trigonal pyramids. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(3) atoms. Ge(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form GeS4 tetrahedra that share corners with four equivalent Hg(1)S4 trigonal pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Hg(1), and one Ge(1) atom. In the third S site, S(3) is bonded to two equivalent Rb(1), one Hg(2), and one Ge(1) atom to form distorted corner-sharing SRb2HgGe trigonal pyramids. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Rb2Hg3(GeS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   10.164
_cell_length_c   13.471
_cell_angle_alpha   82.149
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   885.202
_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
  Rb  Rb0  1  0.164  0.220  0.693  1.0
  Rb  Rb1  1  0.836  0.780  0.307  1.0
  Rb  Rb2  1  0.664  0.780  0.807  1.0
  Rb  Rb3  1  0.336  0.220  0.193  1.0
  Hg  Hg4  1  0.206  0.502  0.882  1.0
  Hg  Hg5  1  0.794  0.498  0.118  1.0
  Hg  Hg6  1  0.706  0.498  0.618  1.0
  Hg  Hg7  1  0.294  0.502  0.382  1.0
  Hg  Hg8  1  0.500  0.000  0.500  1.0
  Hg  Hg9  1  0.000  0.000  0.000  1.0
  Ge  Ge10  1  0.184  0.717  0.575  1.0
  Ge  Ge11  1  0.816  0.283  0.425  1.0
  Ge  Ge12  1  0.684  0.283  0.925  1.0
  Ge  Ge13  1  0.316  0.717  0.075  1.0
  S  S14  1  0.840  0.727  0.574  1.0
  S  S15  1  0.160  0.273  0.426  1.0
  S  S16  1  0.340  0.273  0.926  1.0
  S  S17  1  0.660  0.727  0.074  1.0
  S  S18  1  0.307  0.542  0.671  1.0
  S  S19  1  0.693  0.458  0.329  1.0
  S  S20  1  0.807  0.458  0.829  1.0
  S  S21  1  0.193  0.542  0.171  1.0
  S  S22  1  0.283  0.909  0.634  1.0
  S  S23  1  0.717  0.091  0.366  1.0
  S  S24  1  0.783  0.091  0.866  1.0
  S  S25  1  0.217  0.909  0.134  1.0
  S  S26  1  0.195  0.736  0.917  1.0
  S  S27  1  0.805  0.264  0.083  1.0
  S  S28  1  0.695  0.264  0.583  1.0
  S  S29  1  0.305  0.736  0.417  1.0
[/CIF]
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