data_Zr2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   20.87
_cell_angle_beta   20.87
_cell_angle_gamma   20.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuCl
_chemical_formula_sum   'Zr2 Cu1 Cl1'
_cell_volume   76.29
_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  0.41  1.0
  Zr  Zr3  1  0.0  0.0  0.47  1.0
  Cu  Cu1  1  0.0  0.0  0.94  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2CuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   102.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2CuCl
_chemical_formula_sum   'Zr4 Cu2 Cl2'
_cell_volume   152.59
_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  0.53  1.0
  Zr  Zr1  2  0.0  0.0  0.59  1.0
  Cu  Cu2  2  0.0  0.0  0.06  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Zr Zr Cu Cl
Zr Zr Cu Cl 0 1 o o o 2 3 o o + 
(Zr)2CuCl is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two cuprous chloride molecules and two Zr clusters. In each Zr cluster, there are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Zr(2) atom. The Zr(1)-Zr(2) bond length is 0.57 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Zr(1) atom.