The crystal structure described by TlI3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TlI3 clusters. Tl(1) is bonded in a 5-coordinate geometry to one I(3) atom. There are three inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to one I(1) and one I(3) atom. In the second I site, I(3) is bonded in a distorted L-shaped geometry to one Tl(1) and one I(2) atom. In the third I site, I(1) is bonded in a 1-coordinate geometry to one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.475
_cell_length_b   9.766
_cell_length_c   10.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.712
_cell_formula_units_Z   4
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  0.250  0.025  0.325  1.0
  Tl  Tl1  1  0.750  0.975  0.675  1.0
  Tl  Tl2  1  0.750  0.525  0.175  1.0
  Tl  Tl3  1  0.250  0.475  0.825  1.0
  I  I4  1  0.250  0.349  0.150  1.0
  I  I5  1  0.750  0.651  0.850  1.0
  I  I6  1  0.750  0.849  0.350  1.0
  I  I7  1  0.250  0.151  0.650  1.0
  I  I8  1  0.250  0.543  0.374  1.0
  I  I9  1  0.750  0.457  0.626  1.0
  I  I10  1  0.750  0.043  0.126  1.0
  I  I11  1  0.250  0.957  0.874  1.0
  I  I12  1  0.250  0.733  0.582  1.0
  I  I13  1  0.750  0.267  0.418  1.0
  I  I14  1  0.750  0.233  0.918  1.0
  I  I15  1  0.250  0.767  0.082  1.0
[/CIF]
.
The crystal structure described by TlI3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TlI3 clusters. Tl(1) is bonded in a 5-coordinate geometry to one I(3) atom. There are three inequivalent I sites. In the first I site, I(2) is bonded in a linear geometry to one I(1) and one I(3) atom. In the second I site, I(3) is bonded in a distorted L-shaped geometry to one Tl(1) and one I(2) atom. In the third I site, I(1) is bonded in a 1-coordinate geometry to one I(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.475
_cell_length_b   9.766
_cell_length_c   10.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.712
_cell_formula_units_Z   4
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  0.250  0.025  0.325  1.0
  Tl  Tl1  1  0.750  0.975  0.675  1.0
  Tl  Tl2  1  0.750  0.525  0.175  1.0
  Tl  Tl3  1  0.250  0.475  0.825  1.0
  I  I4  1  0.250  0.349  0.150  1.0
  I  I5  1  0.750  0.651  0.850  1.0
  I  I6  1  0.750  0.849  0.350  1.0
  I  I7  1  0.250  0.151  0.650  1.0
  I  I8  1  0.250  0.543  0.374  1.0
  I  I9  1  0.750  0.457  0.626  1.0
  I  I10  1  0.750  0.043  0.126  1.0
  I  I11  1  0.250  0.957  0.874  1.0
  I  I12  1  0.250  0.733  0.582  1.0
  I  I13  1  0.750  0.267  0.418  1.0
  I  I14  1  0.750  0.233  0.918  1.0
  I  I15  1  0.250  0.767  0.082  1.0
[/CIF]
.