data_V2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuCl
_chemical_formula_sum   'V2 Cu1 Cl1'
_cell_volume   52.55
_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
  V  V2  1  0.4  0.4  0.05  1.0
  V  V3  1  0.4  0.4  0.62  1.0
  Cu  Cu1  1  0.0  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_V2CuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2CuCl
_chemical_formula_sum   'V4 Cu2 Cl2'
_cell_volume   105.1
_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
  V  V0  2  0.4  0.0  0.05  1.0
  V  V1  2  0.4  0.0  0.62  1.0
  Cu  Cu2  2  0.0  0.0  0.33  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

V V Cu Cl
V2CuCl crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one V(2) and four equivalent Cl(1) atoms. The V(1)-V(2) bond length is 2.84 Å. There are a spread of V(1)-Cl(1) bond distances ranging from 1.63-2.39 Å. In the second V site, V(2) is bonded in a 12-coordinate geometry to one V(1), four equivalent V(2), four equivalent Cu(1), and three equivalent Cl(1) atoms. All V(2)-V(2) bond lengths are 2.81 Å. There are a spread of V(2)-Cu(1) bond distances ranging from 2.50-3.04 Å. There is one shorter (3.00 Å) and two longer (3.24 Å) V(2)-Cl(1) bond lengths. Cu(1) is bonded in a 1-coordinate geometry to four equivalent V(2) and one Cl(1) atom. The Cu(1)-Cl(1) bond length is 2.22 Å. Cl(1) is bonded in a 5-coordinate geometry to three equivalent V(2), four equivalent V(1), and one Cu(1) atom.