data_ZrAlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   154.69
_cell_angle_beta   154.69
_cell_angle_gamma   36.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlCl
_chemical_formula_sum   'Zr1 Al1 Cl1'
_cell_volume   66.63
_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
  Zr  Zr2  1  0.0  0.0  0.07  1.0
  Al  Al0  1  0.0  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.06  1.0

data_ZrAlCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAlCl
_chemical_formula_sum   'Zr2 Al2 Cl2'
_cell_volume   133.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.93  1.0
  Al  Al1  2  0.0  0.0  0.54  1.0
  Cl  Cl2  2  0.0  0.0  0.94  1.0

Zr Al Cl
Zr Al Cl 0 2 o o o 0 1 o o o 1 1 + o + 1 1 o + + 1 2 o o o 
ZrAlCl is alpha oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrAlCl clusters. Zr(1) is bonded in a single-bond geometry to one Al(1) and one Cl(1) atom. The Zr(1)-Al(1) bond length is 2.73 Å. The Zr(1)-Cl(1) bond length is 0.08 Å. Al(1) is bonded in a single-bond geometry to one Zr(1) atom. Cl(1) is bonded in a single-bond geometry to one Zr(1) atom.