data_AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al4 Cl4'
_cell_volume   223.65
_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
  Al  Al0  1  0.11  0.14  0.96  1.0
  Al  Al1  1  0.93  0.93  0.93  1.0
  Al  Al2  1  0.96  0.11  0.14  1.0
  Al  Al3  1  0.14  0.96  0.11  1.0
  Cl  Cl4  1  0.45  0.48  0.62  1.0
  Cl  Cl5  1  0.59  0.59  0.59  1.0
  Cl  Cl6  1  0.62  0.45  0.48  1.0
  Cl  Cl7  1  0.48  0.62  0.45  1.0

data_AlCl
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.58
_cell_length_b   8.58
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al12 Cl12'
_cell_volume   670.94
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Al  Al0  9  0.04  0.11  0.07  1.0
  Al  Al1  3  0.0  0.0  0.93  1.0
  Cl  Cl2  9  0.11  0.04  0.52  1.0
  Cl  Cl3  3  0.0  0.0  0.59  1.0

Al Al Al Al Cl Cl Cl Cl
AlCl is Tetraauricupride structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three [td-(13)-delta(4)-closo]tetraaluminium molecules and three Cl2 clusters. In each Cl2 cluster, there are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Cl(2) and two equivalent Cl(1) atoms. The Cl(1)-Cl(2) bond length is 1.12 Å. Both Cl(1)-Cl(1) bond lengths are 1.41 Å. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Cl(1) atoms.