data_CrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   46.89
_cell_angle_beta   46.89
_cell_angle_gamma   46.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl3
_chemical_formula_sum   'Cr2 Cl6'
_cell_volume   213.65
_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
  Cr  Cr0  1  0.0  0.0  0.75  1.0
  Cr  Cr1  1  0.0  0.0  0.5  1.0
  Cl  Cl2  1  0.87  0.75  0.08  1.0
  Cl  Cl3  1  0.94  0.12  0.17  1.0
  Cl  Cl4  1  0.06  0.88  0.08  1.0
  Cl  Cl5  1  0.92  0.62  0.17  1.0
  Cl  Cl6  1  0.13  0.25  0.17  1.0
  Cl  Cl7  1  0.08  0.38  0.08  1.0

data_CrCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   7.6
_cell_angle_alpha   66.56
_cell_angle_beta   66.56
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrCl3
_chemical_formula_sum   'Cr2 Cl6'
_cell_volume   213.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  2  0.0  0.13  0.37  1.0
  Cl  Cl1  2  0.12  0.54  0.89  1.0
  Cl  Cl2  2  0.25  0.54  0.57  1.0
  Cl  Cl3  2  0.38  0.46  0.59  1.0

Cr Cr Cl Cl Cl Cl Cl Cl
CrCl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CrCl3 clusters. Cr(1) is bonded in a 1-coordinate geometry to one Cl(1) and one Cl(2) atom. The Cr(1)-Cl(1) bond length is 1.91 Å. The Cr(1)-Cl(2) bond length is 2.26 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Cl(3) atom. The Cl(1)-Cl(3) bond length is 0.69 Å. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Cr(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cl(1) atom.