The material described by Rb2Hg3Sn2S8 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(3), and two equivalent S(4) atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent Sn(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(2) atoms. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 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 Sn(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), one Hg(2), and one Sn(1) atom to form distorted SRb2SnHg trigonal pyramids that share corners with three equivalent S(4)RbSnHg2 tetrahedra and corners with three equivalent S(2)Rb2SnHg trigonal pyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Sn(1) atom. In the fourth S site, S(4) is bonded to one Rb(1), two equivalent Hg(1), and one Sn(1) atom to form distorted SRbSnHg2 tetrahedra that share corners with two equivalent S(4)RbSnHg2 tetrahedra and corners with three equivalent S(2)Rb2SnHg trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Sn2Hg3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   10.336
_cell_length_c   13.819
_cell_angle_alpha   82.334
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   954.203
_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  0.840  0.278  0.308  1.0
  Rb  Rb1  1  0.340  0.722  0.192  1.0
  Rb  Rb2  1  0.660  0.278  0.808  1.0
  Rb  Rb3  1  0.160  0.722  0.692  1.0
  Sn  Sn4  1  0.683  0.785  0.924  1.0
  Sn  Sn5  1  0.317  0.215  0.076  1.0
  Sn  Sn6  1  0.183  0.215  0.576  1.0
  Sn  Sn7  1  0.817  0.785  0.424  1.0
  Hg  Hg8  1  0.296  0.002  0.380  1.0
  Hg  Hg9  1  0.204  0.002  0.880  1.0
  Hg  Hg10  1  0.704  0.998  0.620  1.0
  Hg  Hg11  1  0.500  0.500  0.500  1.0
  Hg  Hg12  1  0.796  0.998  0.120  1.0
  Hg  Hg13  1  0.000  0.500  0.000  1.0
  S  S14  1  0.323  0.775  0.925  1.0
  S  S15  1  0.205  0.419  0.134  1.0
  S  S16  1  0.196  0.234  0.909  1.0
  S  S17  1  0.177  0.775  0.425  1.0
  S  S18  1  0.795  0.581  0.866  1.0
  S  S19  1  0.823  0.225  0.575  1.0
  S  S20  1  0.705  0.581  0.366  1.0
  S  S21  1  0.804  0.766  0.091  1.0
  S  S22  1  0.319  0.032  0.677  1.0
  S  S23  1  0.295  0.419  0.634  1.0
  S  S24  1  0.304  0.234  0.409  1.0
  S  S25  1  0.681  0.968  0.323  1.0
  S  S26  1  0.677  0.225  0.075  1.0
  S  S27  1  0.696  0.766  0.591  1.0
  S  S28  1  0.181  0.032  0.177  1.0
  S  S29  1  0.819  0.968  0.823  1.0
[/CIF]
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The material described by Rb2Hg3Sn2S8 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(3), and two equivalent S(4) atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent Sn(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(2) atoms. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 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 Sn(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), one Hg(2), and one Sn(1) atom to form distorted SRb2SnHg trigonal pyramids that share corners with three equivalent S(4)RbSnHg2 tetrahedra and corners with three equivalent S(2)Rb2SnHg trigonal pyramids. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hg(1), and one Sn(1) atom. In the fourth S site, S(4) is bonded to one Rb(1), two equivalent Hg(1), and one Sn(1) atom to form distorted SRbSnHg2 tetrahedra that share corners with two equivalent S(4)RbSnHg2 tetrahedra and corners with three equivalent S(2)Rb2SnHg trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Sn2Hg3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.741
_cell_length_b   10.336
_cell_length_c   13.819
_cell_angle_alpha   82.334
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   954.203
_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  0.840  0.278  0.308  1.0
  Rb  Rb1  1  0.340  0.722  0.192  1.0
  Rb  Rb2  1  0.660  0.278  0.808  1.0
  Rb  Rb3  1  0.160  0.722  0.692  1.0
  Sn  Sn4  1  0.683  0.785  0.924  1.0
  Sn  Sn5  1  0.317  0.215  0.076  1.0
  Sn  Sn6  1  0.183  0.215  0.576  1.0
  Sn  Sn7  1  0.817  0.785  0.424  1.0
  Hg  Hg8  1  0.296  0.002  0.380  1.0
  Hg  Hg9  1  0.204  0.002  0.880  1.0
  Hg  Hg10  1  0.704  0.998  0.620  1.0
  Hg  Hg11  1  0.500  0.500  0.500  1.0
  Hg  Hg12  1  0.796  0.998  0.120  1.0
  Hg  Hg13  1  0.000  0.500  0.000  1.0
  S  S14  1  0.323  0.775  0.925  1.0
  S  S15  1  0.205  0.419  0.134  1.0
  S  S16  1  0.196  0.234  0.909  1.0
  S  S17  1  0.177  0.775  0.425  1.0
  S  S18  1  0.795  0.581  0.866  1.0
  S  S19  1  0.823  0.225  0.575  1.0
  S  S20  1  0.705  0.581  0.366  1.0
  S  S21  1  0.804  0.766  0.091  1.0
  S  S22  1  0.319  0.032  0.677  1.0
  S  S23  1  0.295  0.419  0.634  1.0
  S  S24  1  0.304  0.234  0.409  1.0
  S  S25  1  0.681  0.968  0.323  1.0
  S  S26  1  0.677  0.225  0.075  1.0
  S  S27  1  0.696  0.766  0.591  1.0
  S  S28  1  0.181  0.032  0.177  1.0
  S  S29  1  0.819  0.968  0.823  1.0
[/CIF]
.