data_FeCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   19.28
_cell_angle_beta   19.28
_cell_angle_gamma   19.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuCl2
_chemical_formula_sum   'Fe1 Cu1 Cl2'
_cell_volume   85.82
_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
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.19  1.0
  Cl  Cl1  1  0.0  0.0  0.23  1.0

data_FeCuCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   3.23
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   101.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeCuCl2
_chemical_formula_sum   'Fe2 Cu2 Cl4'
_cell_volume   171.63
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.79  1.0
  Cl  Cl2  2  0.0  0.0  0.77  1.0
  Cl  Cl3  2  0.0  0.0  0.81  1.0

Fe Cu Cl Cl
FeCuCl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeCuCl2 clusters. Fe(1) is bonded in a single-bond geometry to one Cl(1) atom. The Fe(1)-Cl(1) bond length is 1.85 Å. Cu(1) is bonded in a linear geometry to one Cl(1) and one Cl(2) atom. The Cu(1)-Cl(1) bond length is 0.20 Å. The Cu(1)-Cl(2) bond length is 0.20 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) and one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cu(1) atom.