data_Ti2SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.41
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiCl
_chemical_formula_sum   'Ti2 Si1 Cl1'
_cell_volume   67.91
_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
  Ti  Ti2  1  0.63  0.71  0.03  1.0
  Ti  Ti3  1  0.0  0.0  0.62  1.0
  Si  Si1  1  0.0  0.0  0.06  1.0
  Cl  Cl0  1  0.63  0.71  0.53  1.0

data_Ti2SiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.41
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiCl
_chemical_formula_sum   'Ti2 Si1 Cl1'
_cell_volume   67.91
_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
  Ti  Ti0  1  0.0  0.0  0.62  1.0
  Ti  Ti1  1  0.63  0.71  0.03  1.0
  Si  Si2  1  0.0  0.0  0.06  1.0
  Cl  Cl3  1  0.63  0.71  0.53  1.0

Ti Ti Si Cl
Ti Ti Si Cl 0 2 + + o 1 3 - - o 
TiSiTiCl is beta Polonium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one einecs 234-900-1 molecule and one TiCl cluster. In the TiCl cluster, Ti(2) is bonded in a 1-coordinate geometry to one Cl(1) atom. The Ti(2)-Cl(1) bond length is 1.66 Å. Cl(1) is bonded in a 1-coordinate geometry to one Ti(2) atom.