data_K2BCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BCl
_chemical_formula_sum   'K2 B1 Cl1'
_cell_volume   111.15
_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
  K  K2  1  0.85  0.85  0.98  1.0
  K  K3  1  0.85  0.85  0.15  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.07  1.0

data_K2BCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BCl
_chemical_formula_sum   'K4 B2 Cl2'
_cell_volume   222.31
_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
  K  K0  2  0.35  0.5  0.15  1.0
  K  K1  2  0.35  0.5  0.98  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Cl  Cl3  2  0.0  0.0  0.07  1.0

K K B Cl
K2BCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2BCl clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one B(1) and one Cl(1) atom. The K(1)-B(1) bond length is 0.80 Å. The K(1)-Cl(1) bond length is 1.03 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Cl(1) atom. The K(2)-Cl(1) bond length is 1.03 Å. B(1) is bonded in a distorted single-bond geometry to one K(1) and one Cl(1) atom. The B(1)-Cl(1) bond length is 0.53 Å. Cl(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), and one B(1) atom.