data_TlSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.32
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   92.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiCl2
_chemical_formula_sum   'Tl1 Si1 Cl2'
_cell_volume   107.86
_cell_formula_units_Z   1
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  Tl3  1  0.08  0.66  0.73  1.0
  Si  Si2  1  0.97  0.0  0.13  1.0
  Cl  Cl0  1  0.77  0.0  0.78  1.0
  Cl  Cl1  1  0.85  0.66  0.04  1.0

data_TlSiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.32
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   92.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiCl2
_chemical_formula_sum   'Tl1 Si1 Cl2'
_cell_volume   107.86
_cell_formula_units_Z   1
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  0.08  0.66  0.73  1.0
  Si  Si1  1  0.97  0.0  0.13  1.0
  Cl  Cl2  1  0.77  0.0  0.78  1.0
  Cl  Cl3  1  0.85  0.66  0.04  1.0

Tl Si Cl Cl
Tl Si Cl Cl 0 2 - + o 0 3 - o + 1 3 o - o 1 2 o o - 2 3 o - + 
TlSiCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlSiCl2 cluster. Tl(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Tl(1)-Cl(1) bond length is 2.13 Å. The Tl(1)-Cl(2) bond length is 2.05 Å. Si(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Si(1)-Cl(1) bond length is 2.17 Å. The Si(1)-Cl(2) bond length is 1.93 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted L-shaped geometry to one Tl(1) and one Si(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Tl(1) and one Si(1) atom.