The material structure described by TlC4H12S2O2I3 is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TlC4H12S2O2I3 clusters. Tl(1) is bonded in a trigonal bipyramidal geometry to two equivalent O(1), one I(2), and two equivalent I(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one H(4), one H(5), one H(6), and one S(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. S(1) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one O(1) atom. O(1) is bonded in a bent 120 degrees geometry to one Tl(1) and one S(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the CIF card [CIF]
data_TlH12C4S2I3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   13.127
_cell_angle_alpha   95.207
_cell_angle_beta   95.207
_cell_angle_gamma   119.534
_symmetry_Int_Tables_number   1
_cell_volume   983.992
_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  0.787  0.213  0.750  1.0
  Tl  Tl1  1  0.213  0.787  0.250  1.0
  H  H2  1  0.802  0.092  0.387  1.0
  H  H3  1  0.908  0.198  0.113  1.0
  H  H4  1  0.198  0.908  0.613  1.0
  H  H5  1  0.092  0.802  0.887  1.0
  H  H6  1  0.933  0.309  0.376  1.0
  H  H7  1  0.691  0.067  0.124  1.0
  H  H8  1  0.067  0.691  0.624  1.0
  H  H9  1  0.309  0.933  0.876  1.0
  H  H10  1  0.011  0.167  0.361  1.0
  H  H11  1  0.833  0.989  0.139  1.0
  H  H12  1  0.989  0.833  0.639  1.0
  H  H13  1  0.167  0.011  0.861  1.0
  H  H14  1  0.273  0.461  0.616  1.0
  H  H15  1  0.539  0.727  0.884  1.0
  H  H16  1  0.727  0.539  0.384  1.0
  H  H17  1  0.461  0.273  0.116  1.0
  H  H18  1  0.274  0.373  0.488  1.0
  H  H19  1  0.627  0.726  0.012  1.0
  H  H20  1  0.726  0.627  0.512  1.0
  H  H21  1  0.373  0.274  0.988  1.0
  H  H22  1  0.195  0.516  0.503  1.0
  H  H23  1  0.484  0.805  0.997  1.0
  H  H24  1  0.805  0.484  0.497  1.0
  H  H25  1  0.516  0.195  0.003  1.0
  C  C26  1  0.929  0.199  0.401  1.0
  C  C27  1  0.801  0.071  0.099  1.0
  C  C28  1  0.071  0.801  0.599  1.0
  C  C29  1  0.199  0.929  0.901  1.0
  C  C30  1  0.208  0.418  0.536  1.0
  C  C31  1  0.582  0.792  0.964  1.0
  C  C32  1  0.792  0.582  0.464  1.0
  C  C33  1  0.418  0.208  0.036  1.0
  S  S34  1  0.005  0.244  0.538  1.0
  S  S35  1  0.756  0.995  0.962  1.0
  S  S36  1  0.995  0.756  0.462  1.0
  S  S37  1  0.244  0.005  0.038  1.0
  I  I38  1  0.114  0.375  0.857  1.0
  I  I39  1  0.625  0.886  0.643  1.0
  I  I40  1  0.886  0.625  0.143  1.0
  I  I41  1  0.375  0.114  0.357  1.0
  I  I42  1  0.615  0.385  0.750  1.0
  I  I43  1  0.385  0.615  0.250  1.0
  O  O44  1  0.909  0.318  0.587  1.0
  O  O45  1  0.682  0.091  0.913  1.0
  O  O46  1  0.091  0.682  0.413  1.0
  O  O47  1  0.318  0.909  0.087  1.0
[/CIF]
.
The material structure described by TlC4H12S2O2I3 is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TlC4H12S2O2I3 clusters. Tl(1) is bonded in a trigonal bipyramidal geometry to two equivalent O(1), one I(2), and two equivalent I(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one S(1) atom. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one H(4), one H(5), one H(6), and one S(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. S(1) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one O(1) atom. O(1) is bonded in a bent 120 degrees geometry to one Tl(1) and one S(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Tl(1) atom. is represented by the CIF card [CIF]
data_TlH12C4S2I3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.359
_cell_length_b   9.359
_cell_length_c   13.127
_cell_angle_alpha   95.207
_cell_angle_beta   95.207
_cell_angle_gamma   119.534
_symmetry_Int_Tables_number   1
_cell_volume   983.992
_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  0.787  0.213  0.750  1.0
  Tl  Tl1  1  0.213  0.787  0.250  1.0
  H  H2  1  0.802  0.092  0.387  1.0
  H  H3  1  0.908  0.198  0.113  1.0
  H  H4  1  0.198  0.908  0.613  1.0
  H  H5  1  0.092  0.802  0.887  1.0
  H  H6  1  0.933  0.309  0.376  1.0
  H  H7  1  0.691  0.067  0.124  1.0
  H  H8  1  0.067  0.691  0.624  1.0
  H  H9  1  0.309  0.933  0.876  1.0
  H  H10  1  0.011  0.167  0.361  1.0
  H  H11  1  0.833  0.989  0.139  1.0
  H  H12  1  0.989  0.833  0.639  1.0
  H  H13  1  0.167  0.011  0.861  1.0
  H  H14  1  0.273  0.461  0.616  1.0
  H  H15  1  0.539  0.727  0.884  1.0
  H  H16  1  0.727  0.539  0.384  1.0
  H  H17  1  0.461  0.273  0.116  1.0
  H  H18  1  0.274  0.373  0.488  1.0
  H  H19  1  0.627  0.726  0.012  1.0
  H  H20  1  0.726  0.627  0.512  1.0
  H  H21  1  0.373  0.274  0.988  1.0
  H  H22  1  0.195  0.516  0.503  1.0
  H  H23  1  0.484  0.805  0.997  1.0
  H  H24  1  0.805  0.484  0.497  1.0
  H  H25  1  0.516  0.195  0.003  1.0
  C  C26  1  0.929  0.199  0.401  1.0
  C  C27  1  0.801  0.071  0.099  1.0
  C  C28  1  0.071  0.801  0.599  1.0
  C  C29  1  0.199  0.929  0.901  1.0
  C  C30  1  0.208  0.418  0.536  1.0
  C  C31  1  0.582  0.792  0.964  1.0
  C  C32  1  0.792  0.582  0.464  1.0
  C  C33  1  0.418  0.208  0.036  1.0
  S  S34  1  0.005  0.244  0.538  1.0
  S  S35  1  0.756  0.995  0.962  1.0
  S  S36  1  0.995  0.756  0.462  1.0
  S  S37  1  0.244  0.005  0.038  1.0
  I  I38  1  0.114  0.375  0.857  1.0
  I  I39  1  0.625  0.886  0.643  1.0
  I  I40  1  0.886  0.625  0.143  1.0
  I  I41  1  0.375  0.114  0.357  1.0
  I  I42  1  0.615  0.385  0.750  1.0
  I  I43  1  0.385  0.615  0.250  1.0
  O  O44  1  0.909  0.318  0.587  1.0
  O  O45  1  0.682  0.091  0.913  1.0
  O  O46  1  0.091  0.682  0.413  1.0
  O  O47  1  0.318  0.909  0.087  1.0
[/CIF]
.