The material structure described by Li(BH)4(BH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydridoboron(2.) (singlet) molecules and four Li(BH)4 clusters. In each Li(BH)4 cluster, Li(1) is bonded in a 3-coordinate geometry to one H(1), one H(4), one H(5), and one H(6) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(4) atom. In the second B site, B(3) is bonded in a single-bond geometry to one H(5) atom. In the third B site, B(4) is bonded in a single-bond geometry to one H(6) atom. In the fourth B site, B(6) is bonded in a single-bond geometry to one H(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a bent 120 degrees geometry to one Li(1) and one B(1) atom. In the second H site, H(5) is bonded in a distorted L-shaped geometry to one Li(1) and one B(3) atom. In the third H site, H(6) is bonded in an L-shaped geometry to one Li(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a water-like geometry to one Li(1) and one B(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(BH)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.623
_cell_length_b   6.803
_cell_length_c   9.865
_cell_angle_alpha   48.661
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.891
_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
  Li  Li0  1  0.875  0.642  0.326  1.0
  Li  Li1  1  0.125  0.358  0.674  1.0
  Li  Li2  1  0.375  0.358  0.174  1.0
  Li  Li3  1  0.625  0.642  0.826  1.0
  B  B4  1  0.606  0.813  0.183  1.0
  B  B5  1  0.394  0.187  0.817  1.0
  B  B6  1  0.106  0.187  0.317  1.0
  B  B7  1  0.894  0.813  0.683  1.0
  B  B8  1  0.828  0.998  0.459  1.0
  B  B9  1  0.172  0.002  0.541  1.0
  B  B10  1  0.328  0.002  0.041  1.0
  B  B11  1  0.672  0.998  0.959  1.0
  B  B12  1  0.432  0.716  0.188  1.0
  B  B13  1  0.568  0.284  0.812  1.0
  B  B14  1  0.932  0.284  0.312  1.0
  B  B15  1  0.068  0.716  0.688  1.0
  B  B16  1  0.609  0.158  0.032  1.0
  B  B17  1  0.391  0.842  0.968  1.0
  B  B18  1  0.109  0.842  0.468  1.0
  B  B19  1  0.891  0.158  0.532  1.0
  B  B20  1  0.561  0.725  0.055  1.0
  B  B21  1  0.439  0.275  0.945  1.0
  B  B22  1  0.061  0.275  0.445  1.0
  B  B23  1  0.939  0.725  0.555  1.0
  B  B24  1  0.462  0.987  0.174  1.0
  B  B25  1  0.538  0.013  0.826  1.0
  B  B26  1  0.962  0.013  0.326  1.0
  B  B27  1  0.038  0.987  0.674  1.0
  H  H28  1  0.437  0.976  0.298  1.0
  H  H29  1  0.563  0.024  0.702  1.0
  H  H30  1  0.937  0.024  0.202  1.0
  H  H31  1  0.063  0.976  0.798  1.0
  H  H32  1  0.603  0.524  0.098  1.0
  H  H33  1  0.397  0.476  0.902  1.0
  H  H34  1  0.103  0.476  0.402  1.0
  H  H35  1  0.897  0.524  0.598  1.0
  H  H36  1  0.706  0.996  0.430  1.0
  H  H37  1  0.294  0.004  0.570  1.0
  H  H38  1  0.206  0.004  0.070  1.0
  H  H39  1  0.794  0.996  0.930  1.0
  H  H40  1  0.674  0.676  0.318  1.0
  H  H41  1  0.326  0.324  0.682  1.0
  H  H42  1  0.174  0.324  0.182  1.0
  H  H43  1  0.826  0.676  0.818  1.0
  H  H44  1  0.886  0.491  0.180  1.0
  H  H45  1  0.114  0.509  0.820  1.0
  H  H46  1  0.386  0.509  0.320  1.0
  H  H47  1  0.614  0.491  0.680  1.0
  H  H48  1  0.688  0.271  0.055  1.0
  H  H49  1  0.312  0.729  0.945  1.0
  H  H50  1  0.188  0.729  0.445  1.0
  H  H51  1  0.812  0.271  0.555  1.0
[/CIF]
.
The material structure described by Li(BH)4(BH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydridoboron(2.) (singlet) molecules and four Li(BH)4 clusters. In each Li(BH)4 cluster, Li(1) is bonded in a 3-coordinate geometry to one H(1), one H(4), one H(5), and one H(6) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(4) atom. In the second B site, B(3) is bonded in a single-bond geometry to one H(5) atom. In the third B site, B(4) is bonded in a single-bond geometry to one H(6) atom. In the fourth B site, B(6) is bonded in a single-bond geometry to one H(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a bent 120 degrees geometry to one Li(1) and one B(1) atom. In the second H site, H(5) is bonded in a distorted L-shaped geometry to one Li(1) and one B(3) atom. In the third H site, H(6) is bonded in an L-shaped geometry to one Li(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a water-like geometry to one Li(1) and one B(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(BH)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.623
_cell_length_b   6.803
_cell_length_c   9.865
_cell_angle_alpha   48.661
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.891
_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
  Li  Li0  1  0.875  0.642  0.326  1.0
  Li  Li1  1  0.125  0.358  0.674  1.0
  Li  Li2  1  0.375  0.358  0.174  1.0
  Li  Li3  1  0.625  0.642  0.826  1.0
  B  B4  1  0.606  0.813  0.183  1.0
  B  B5  1  0.394  0.187  0.817  1.0
  B  B6  1  0.106  0.187  0.317  1.0
  B  B7  1  0.894  0.813  0.683  1.0
  B  B8  1  0.828  0.998  0.459  1.0
  B  B9  1  0.172  0.002  0.541  1.0
  B  B10  1  0.328  0.002  0.041  1.0
  B  B11  1  0.672  0.998  0.959  1.0
  B  B12  1  0.432  0.716  0.188  1.0
  B  B13  1  0.568  0.284  0.812  1.0
  B  B14  1  0.932  0.284  0.312  1.0
  B  B15  1  0.068  0.716  0.688  1.0
  B  B16  1  0.609  0.158  0.032  1.0
  B  B17  1  0.391  0.842  0.968  1.0
  B  B18  1  0.109  0.842  0.468  1.0
  B  B19  1  0.891  0.158  0.532  1.0
  B  B20  1  0.561  0.725  0.055  1.0
  B  B21  1  0.439  0.275  0.945  1.0
  B  B22  1  0.061  0.275  0.445  1.0
  B  B23  1  0.939  0.725  0.555  1.0
  B  B24  1  0.462  0.987  0.174  1.0
  B  B25  1  0.538  0.013  0.826  1.0
  B  B26  1  0.962  0.013  0.326  1.0
  B  B27  1  0.038  0.987  0.674  1.0
  H  H28  1  0.437  0.976  0.298  1.0
  H  H29  1  0.563  0.024  0.702  1.0
  H  H30  1  0.937  0.024  0.202  1.0
  H  H31  1  0.063  0.976  0.798  1.0
  H  H32  1  0.603  0.524  0.098  1.0
  H  H33  1  0.397  0.476  0.902  1.0
  H  H34  1  0.103  0.476  0.402  1.0
  H  H35  1  0.897  0.524  0.598  1.0
  H  H36  1  0.706  0.996  0.430  1.0
  H  H37  1  0.294  0.004  0.570  1.0
  H  H38  1  0.206  0.004  0.070  1.0
  H  H39  1  0.794  0.996  0.930  1.0
  H  H40  1  0.674  0.676  0.318  1.0
  H  H41  1  0.326  0.324  0.682  1.0
  H  H42  1  0.174  0.324  0.182  1.0
  H  H43  1  0.826  0.676  0.818  1.0
  H  H44  1  0.886  0.491  0.180  1.0
  H  H45  1  0.114  0.509  0.820  1.0
  H  H46  1  0.386  0.509  0.320  1.0
  H  H47  1  0.614  0.491  0.680  1.0
  H  H48  1  0.688  0.271  0.055  1.0
  H  H49  1  0.312  0.729  0.945  1.0
  H  H50  1  0.188  0.729  0.445  1.0
  H  H51  1  0.812  0.271  0.555  1.0
[/CIF]
.