The crystal structure described by Tl(Hg3(SBr)2)2Br crystallizes in the tetragonal I4/m space group. The structure consists of four 7440-28-0 atoms and four hydrogen bromide atoms inside a Hg3(SBr)2 framework. In the Hg3(SBr)2 framework, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1), one Br(3), and one Br(4) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to two equivalent S(1) and one Br(3) atom. S(1) is bonded in a distorted T-shaped geometry to one Hg(2) and two equivalent Hg(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2) and two equivalent Hg(1) atoms. In the second Br site, Br(4) is bonded in a distorted water-like geometry to two equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlHg6S4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.246
_cell_length_b   11.246
_cell_length_c   11.246
_cell_angle_alpha   99.374
_cell_angle_beta   99.374
_cell_angle_gamma   132.396
_symmetry_Int_Tables_number   1
_cell_volume   960.923
_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
  Tl  Tl0  1  0.750  0.250  0.500  1.0
  Tl  Tl1  1  0.250  0.750  0.500  1.0
  Hg  Hg2  1  0.300  0.439  0.214  1.0
  Hg  Hg3  1  0.225  0.086  0.786  1.0
  Hg  Hg4  1  0.086  0.300  0.861  1.0
  Hg  Hg5  1  0.439  0.225  0.139  1.0
  Hg  Hg6  1  0.700  0.561  0.786  1.0
  Hg  Hg7  1  0.775  0.914  0.214  1.0
  Hg  Hg8  1  0.914  0.700  0.139  1.0
  Hg  Hg9  1  0.561  0.775  0.861  1.0
  Hg  Hg10  1  0.231  0.141  0.372  1.0
  Hg  Hg11  1  0.769  0.859  0.628  1.0
  Hg  Hg12  1  0.859  0.231  0.089  1.0
  Hg  Hg13  1  0.141  0.769  0.911  1.0
  S  S14  1  0.464  0.394  0.328  1.0
  S  S15  1  0.066  0.136  0.672  1.0
  S  S16  1  0.136  0.464  0.070  1.0
  S  S17  1  0.394  0.066  0.930  1.0
  S  S18  1  0.536  0.606  0.672  1.0
  S  S19  1  0.934  0.864  0.328  1.0
  S  S20  1  0.864  0.536  0.930  1.0
  S  S21  1  0.606  0.934  0.070  1.0
  Br  Br22  1  0.500  0.500  0.000  1.0
  Br  Br23  1  0.000  0.000  0.000  1.0
  Br  Br24  1  0.428  0.173  0.601  1.0
  Br  Br25  1  0.572  0.827  0.399  1.0
  Br  Br26  1  0.827  0.428  0.256  1.0
  Br  Br27  1  0.173  0.572  0.744  1.0
  Br  Br28  1  0.069  0.313  0.383  1.0
  Br  Br29  1  0.931  0.687  0.617  1.0
  Br  Br30  1  0.687  0.069  0.756  1.0
  Br  Br31  1  0.313  0.931  0.244  1.0
[/CIF]
.
The crystal structure described by Tl(Hg3(SBr)2)2Br crystallizes in the tetragonal I4/m space group. The structure consists of four 7440-28-0 atoms and four hydrogen bromide atoms inside a Hg3(SBr)2 framework. In the Hg3(SBr)2 framework, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1), one Br(3), and one Br(4) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to two equivalent S(1) and one Br(3) atom. S(1) is bonded in a distorted T-shaped geometry to one Hg(2) and two equivalent Hg(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2) and two equivalent Hg(1) atoms. In the second Br site, Br(4) is bonded in a distorted water-like geometry to two equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlHg6S4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.246
_cell_length_b   11.246
_cell_length_c   11.246
_cell_angle_alpha   99.374
_cell_angle_beta   99.374
_cell_angle_gamma   132.396
_symmetry_Int_Tables_number   1
_cell_volume   960.923
_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
  Tl  Tl0  1  0.750  0.250  0.500  1.0
  Tl  Tl1  1  0.250  0.750  0.500  1.0
  Hg  Hg2  1  0.300  0.439  0.214  1.0
  Hg  Hg3  1  0.225  0.086  0.786  1.0
  Hg  Hg4  1  0.086  0.300  0.861  1.0
  Hg  Hg5  1  0.439  0.225  0.139  1.0
  Hg  Hg6  1  0.700  0.561  0.786  1.0
  Hg  Hg7  1  0.775  0.914  0.214  1.0
  Hg  Hg8  1  0.914  0.700  0.139  1.0
  Hg  Hg9  1  0.561  0.775  0.861  1.0
  Hg  Hg10  1  0.231  0.141  0.372  1.0
  Hg  Hg11  1  0.769  0.859  0.628  1.0
  Hg  Hg12  1  0.859  0.231  0.089  1.0
  Hg  Hg13  1  0.141  0.769  0.911  1.0
  S  S14  1  0.464  0.394  0.328  1.0
  S  S15  1  0.066  0.136  0.672  1.0
  S  S16  1  0.136  0.464  0.070  1.0
  S  S17  1  0.394  0.066  0.930  1.0
  S  S18  1  0.536  0.606  0.672  1.0
  S  S19  1  0.934  0.864  0.328  1.0
  S  S20  1  0.864  0.536  0.930  1.0
  S  S21  1  0.606  0.934  0.070  1.0
  Br  Br22  1  0.500  0.500  0.000  1.0
  Br  Br23  1  0.000  0.000  0.000  1.0
  Br  Br24  1  0.428  0.173  0.601  1.0
  Br  Br25  1  0.572  0.827  0.399  1.0
  Br  Br26  1  0.827  0.428  0.256  1.0
  Br  Br27  1  0.173  0.572  0.744  1.0
  Br  Br28  1  0.069  0.313  0.383  1.0
  Br  Br29  1  0.931  0.687  0.617  1.0
  Br  Br30  1  0.687  0.069  0.756  1.0
  Br  Br31  1  0.313  0.931  0.244  1.0
[/CIF]
.