data_Cs(BCl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.44
_cell_length_b   16.44
_cell_length_c   16.44
_cell_angle_alpha   34.48
_cell_angle_beta   34.48
_cell_angle_gamma   34.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(BCl)6
_chemical_formula_sum   'Cs4 B24 Cl24'
_cell_volume   1270.45
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.0  0.0  0.66  1.0
  Cs  Cs1  1  0.0  0.0  0.3  1.0
  Cs  Cs2  1  0.0  0.0  0.05  1.0
  Cs  Cs3  1  0.0  0.0  0.69  1.0
  B  B4  1  0.52  0.4  0.85  1.0
  B  B5  1  0.48  0.6  0.5  1.0
  B  B6  1  0.15  0.65  0.81  1.0
  B  B7  1  0.3  0.99  0.82  1.0
  B  B8  1  0.22  0.0  0.81  1.0
  B  B9  1  0.71  0.25  0.82  1.0
  B  B10  1  0.01  0.24  0.53  1.0
  B  B11  1  0.4  0.93  0.13  1.0
  B  B12  1  0.77  0.55  0.13  1.0
  B  B13  1  0.29  0.75  0.53  1.0
  B  B14  1  0.63  0.38  0.85  1.0
  B  B15  1  0.62  0.34  0.81  1.0
  B  B16  1  0.99  0.76  0.82  1.0
  B  B17  1  0.6  0.07  0.22  1.0
  B  B18  1  0.85  0.35  0.54  1.0
  B  B19  1  0.15  0.78  0.5  1.0
  B  B20  1  0.82  0.52  0.13  1.0
  B  B21  1  0.78  1.0  0.54  1.0
  B  B22  1  0.38  0.66  0.54  1.0
  B  B23  1  0.23  0.45  0.22  1.0
  B  B24  1  0.37  0.62  0.5  1.0
  B  B25  1  0.7  0.01  0.53  1.0
  B  B26  1  0.85  0.22  0.85  1.0
  B  B27  1  0.18  0.48  0.22  1.0
  Cl  Cl28  1  0.34  0.77  0.48  1.0
  Cl  Cl29  1  0.77  0.58  0.76  1.0
  Cl  Cl30  1  0.66  0.51  0.48  1.0
  Cl  Cl31  1  0.34  0.49  0.87  1.0
  Cl  Cl32  1  0.29  0.85  0.59  1.0
  Cl  Cl33  1  0.54  0.14  0.22  1.0
  Cl  Cl34  1  0.71  0.15  0.76  1.0
  Cl  Cl35  1  0.53  0.56  0.95  1.0
  Cl  Cl36  1  0.23  0.42  0.59  1.0
  Cl  Cl37  1  0.47  0.44  0.4  1.0
  Cl  Cl38  1  0.76  0.51  0.12  1.0
  Cl  Cl39  1  0.46  0.86  0.12  1.0
  Cl  Cl40  1  0.99  0.72  0.48  1.0
  Cl  Cl41  1  0.39  0.95  0.95  1.0
  Cl  Cl42  1  0.78  0.63  0.12  1.0
  Cl  Cl43  1  0.61  0.05  0.4  1.0
  Cl  Cl44  1  0.49  0.72  0.59  1.0
  Cl  Cl45  1  0.08  0.49  0.95  1.0
  Cl  Cl46  1  0.24  0.49  0.22  1.0
  Cl  Cl47  1  0.22  0.37  0.22  1.0
  Cl  Cl48  1  0.66  0.23  0.87  1.0
  Cl  Cl49  1  0.92  0.51  0.4  1.0
  Cl  Cl50  1  0.51  0.28  0.76  1.0
  Cl  Cl51  1  0.01  0.28  0.87  1.0

data_Cs(BCl)6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.74
_cell_length_b   9.74
_cell_length_c   16.44
_cell_angle_alpha   72.76
_cell_angle_beta   72.76
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs(BCl)6
_chemical_formula_sum   'Cs4 B24 Cl24'
_cell_volume   1270.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.0  0.02  0.48  1.0
  Cs  Cs1  2  0.0  0.38  0.12  1.0
  B  B2  2  0.0  0.14  0.14  1.0
  B  B3  2  0.01  0.85  0.94  1.0
  B  B4  2  0.07  0.55  0.28  1.0
  B  B5  2  0.22  0.18  0.25  1.0
  B  B6  2  0.24  0.85  0.4  1.0
  B  B7  2  0.25  0.15  0.4  1.0
  B  B8  2  0.34  0.14  0.4  1.0
  B  B9  2  0.35  0.86  0.44  1.0
  B  B10  2  0.38  0.18  0.31  1.0
  B  B11  2  0.4  0.18  0.41  1.0
  B  B12  2  0.45  0.55  0.28  1.0
  B  B13  2  0.48  0.55  0.29  1.0
  Cl  Cl14  2  0.05  0.72  0.11  1.0
  Cl  Cl15  2  0.14  0.55  0.27  1.0
  Cl  Cl16  2  0.15  0.09  0.55  1.0
  Cl  Cl17  2  0.23  0.19  0.42  1.0
  Cl  Cl18  2  0.28  0.09  0.62  1.0
  Cl  Cl19  2  0.28  0.19  0.02  1.0
  Cl  Cl20  2  0.37  0.55  0.37  1.0
  Cl  Cl21  2  0.42  0.91  0.93  1.0
  Cl  Cl22  2  0.44  0.72  0.86  1.0
  Cl  Cl23  2  0.49  0.19  0.48  1.0
  Cl  Cl24  2  0.49  0.28  0.65  1.0
  Cl  Cl25  2  0.49  0.55  0.21  1.0

Cs Cs Cs Cs B B B B B B B B B B B B B B B B B B B B B B B B Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Cs2B11Cl9BClCl2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 7782-50-5 molecules, two chloroborane molecules, and one Cs2B11Cl9 cluster. In the Cs2B11Cl9 cluster, there are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted single-bond geometry to one Cs(1), one B(6), and one Cl(4) atom. The Cs(1)-Cs(1) bond length is 0.49 Å. The Cs(1)-B(6) bond length is 2.36 Å. The Cs(1)-Cl(4) bond length is 2.39 Å. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one B(11), one B(4), one Cl(8), and one Cl(9) atom. The Cs(2)-B(11) bond length is 2.96 Å. The Cs(2)-B(4) bond length is 2.28 Å. The Cs(2)-Cl(8) bond length is 2.77 Å. The Cs(2)-Cl(9) bond length is 3.59 Å. There are eleven inequivalent B sites. In the first B site, B(1) is bonded in a distorted bent 150 degrees geometry to one B(10) and one Cl(3) atom. The B(1)-B(10) bond length is 0.91 Å. The B(1)-Cl(3) bond length is 1.74 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to one B(6), one Cl(12), and one Cl(3) atom. The B(2)-B(6) bond length is 1.48 Å. The B(2)-Cl(12) bond length is 2.10 Å. The B(2)-Cl(3) bond length is 2.10 Å. In the third B site, B(3) is bonded in a distorted single-bond geometry to one B(4) atom. The B(3)-B(4) bond length is 1.22 Å. In the fourth B site, B(4) is bonded in a water-like geometry to one Cs(2) and one B(3) atom. In the fifth B site, B(5) is bonded in a distorted single-bond geometry to one Cl(1) atom. The B(5)-Cl(1) bond length is 0.63 Å. In the sixth B site, B(6) is bonded in a 3-coordinate geometry to one Cs(1), one B(2), and one Cl(12) atom. The B(6)-Cl(12) bond length is 2.28 Å. In the seventh B site, B(8) is bonded in a 3-coordinate geometry to one B(12), one Cl(10), and one Cl(7) atom. The B(8)-B(12) bond length is 0.47 Å. The B(8)-Cl(10) bond length is 1.39 Å. The B(8)-Cl(7) bond length is 1.07 Å. In the eighth B site, B(9) is bonded in a 1-coordinate geometry to one B(10) and one B(11) atom. The B(9)-B(10) bond length is 1.37 Å. The B(9)-B(11) bond length is 2.13 Å. In the ninth B site, B(10) is bonded in a distorted single-bond geometry to one B(1), one B(9), and one Cl(1) atom. The B(10)-Cl(1) bond length is 0.95 Å. In the tenth B site, B(11) is bonded in a distorted bent 150 degrees geometry to one Cs(2) and one B(9) atom. In the eleventh B site, B(12) is bonded in a 4-coordinate geometry to one B(8), one Cl(10), one Cl(12), and one Cl(7) atom. The B(12)-Cl(10) bond length is 1.38 Å. The B(12)-Cl(12) bond length is 2.30 Å. The B(12)-Cl(7) bond length is 1.29 Å. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one B(10) and one B(5) atom. In the second Cl site, Cl(3) is bonded in a distorted bent 150 degrees geometry to one B(1) and one B(2) atom. In the third Cl site, Cl(4) is bonded in a 1-coordinate geometry to one Cs(1) and one Cl(11) atom. The Cl(4)-Cl(11) bond length is 1.96 Å. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one B(12) and one B(8) atom. In the fifth Cl site, Cl(8) is bonded in a single-bond geometry to one Cs(2) atom. In the sixth Cl site, Cl(9) is bonded in a single-bond geometry to one Cs(2) atom. In the seventh Cl site, Cl(10) is bonded in a 2-coordinate geometry to one B(12) and one B(8) atom. In the eighth Cl site, Cl(11) is bonded in a single-bond geometry to one Cl(4) atom. In the ninth Cl site, Cl(12) is bonded in a 3-coordinate geometry to one B(12), one B(2), and one B(6) atom.