data_HfSi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Cl
_chemical_formula_sum   'Hf1 Si2 Cl1'
_cell_volume   79.79
_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
  Hf  Hf1  1  0.18  0.0  0.76  1.0
  Si  Si2  1  0.0  0.0  0.02  1.0
  Si  Si3  1  0.18  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.43  1.0

data_HfSi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Cl
_chemical_formula_sum   'Hf1 Si2 Cl1'
_cell_volume   79.79
_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
  Hf  Hf0  1  0.18  0.0  0.76  1.0
  Si  Si1  1  0.0  0.0  0.02  1.0
  Si  Si2  1  0.18  0.0  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.43  1.0

Hf Si Si Cl
HfSi2Cl is alpha oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfSi2Cl cluster. Hf(1) is bonded in a single-bond geometry to one Si(2) and one Cl(1) atom. The Hf(1)-Si(2) bond length is 0.36 Å. The Hf(1)-Cl(1) bond length is 2.73 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one Si(2) atom. The Si(1)-Si(2) bond length is 1.79 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to one Hf(1) and one Si(1) atom. Cl(1) is bonded in a single-bond geometry to one Hf(1) atom.