data_Cu2BCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   3.06
_cell_angle_alpha   103.1
_cell_angle_beta   103.1
_cell_angle_gamma   25.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BCl
_chemical_formula_sum   'Cu2 B1 Cl1'
_cell_volume   57.18
_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
  Cu  Cu2  1  0.42  0.0  0.71  1.0
  Cu  Cu3  1  0.68  0.0  0.69  1.0
  B  B0  1  0.73  0.0  0.35  1.0
  Cl  Cl1  1  0.89  0.0  0.69  1.0

data_Cu2BCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.06
_cell_length_c   6.66
_cell_angle_alpha   103.1
_cell_angle_beta   102.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BCl
_chemical_formula_sum   'Cu2 B1 Cl1'
_cell_volume   57.18
_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
  Cu  Cu0  1  0.0  0.69  0.68  1.0
  Cu  Cu1  1  0.0  0.71  0.42  1.0
  B  B2  1  0.0  0.35  0.73  1.0
  Cl  Cl3  1  0.0  0.69  0.89  1.0

Cu Cu B Cl
Cu2BCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2BCl cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.74 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Cu(1), one B(1), and one Cl(1) atom. The Cu(2)-B(1) bond length is 1.15 Å. The Cu(2)-Cl(1) bond length is 1.37 Å. B(1) is bonded in a 2-coordinate geometry to one Cu(2) and one Cl(1) atom. The B(1)-Cl(1) bond length is 1.31 Å. Cl(1) is bonded in a 2-coordinate geometry to one Cu(2) and one B(1) atom.