The compound described by Li3B3(NH8)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one H(1), one H(10), one H(4), one H(6), and one H(8) atom to form distorted LiH5N pentagonal pyramids that share  a cornercorner with one B(3)H4 tetrahedra,  an edgeedge with one B(1)H4 tetrahedra, and  an edgeedge with one B(2)H4 tetrahedra. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one N(2), one H(1), one H(11), one H(12), one H(2), one H(6), and one H(7) atom. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one H(10), one H(12), one H(2), one H(3), one H(5), one H(8), and one H(9) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form BH4 tetrahedra that share  an edgeedge with one Li(1)H5N pentagonal pyramid. In the second B site, B(2) is bonded to one H(5), one H(6), one H(7), and one H(8) atom to form BH4 tetrahedra that share  an edgeedge with one Li(1)H5N pentagonal pyramid. In the third B site, B(3) is bonded to one H(10), one H(11), one H(12), and one H(9) atom to form BH4 tetrahedra that share  a cornercorner with one Li(1)H5N pentagonal pyramid. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one Li(1), one H(13), and one H(14) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one Li(2), one H(15), and one H(16) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one B(1) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one B(1) atom. In the third H site, H(3) is bonded in an L-shaped geometry to one Li(3) and one B(1) atom. In the fourth H site, H(4) is bonded in an L-shaped geometry to one Li(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a water-like geometry to one Li(3) and one B(2) atom. In the sixth H site, H(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one B(2) atom. In the seventh H site, H(7) is bonded in a water-like geometry to one Li(2) and one B(2) atom. In the eighth H site, H(8) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(2) atom. In the ninth H site, H(9) is bonded in a bent 120 degrees geometry to one Li(3) and one B(3) atom. In the tenth H site, H(10) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(3) atom. In the eleventh H site, H(11) is bonded in a water-like geometry to one Li(2) and one B(3) atom. In the twelfth H site, H(12) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one B(3) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one N(1) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one N(1) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one N(2) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3B3(H8N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.131
_cell_length_b   7.515
_cell_length_c   7.863
_cell_angle_alpha   87.218
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.870
_cell_formula_units_Z   2
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  0.078  0.178  0.745  1.0
  Li  Li1  1  0.578  0.822  0.255  1.0
  Li  Li2  1  0.352  0.785  0.798  1.0
  Li  Li3  1  0.852  0.215  0.202  1.0
  Li  Li4  1  0.840  0.581  0.683  1.0
  Li  Li5  1  0.340  0.419  0.317  1.0
  B  B6  1  0.999  0.866  0.735  1.0
  B  B7  1  0.499  0.134  0.265  1.0
  B  B8  1  0.867  0.352  0.913  1.0
  B  B9  1  0.367  0.648  0.087  1.0
  B  B10  1  0.020  0.382  0.438  1.0
  B  B11  1  0.520  0.618  0.562  1.0
  H  H12  1  0.089  0.931  0.850  1.0
  H  H13  1  0.589  0.069  0.150  1.0
  H  H14  1  0.087  0.739  0.683  1.0
  H  H15  1  0.587  0.261  0.317  1.0
  H  H16  1  0.847  0.818  0.794  1.0
  H  H17  1  0.347  0.182  0.206  1.0
  H  H18  1  0.974  0.976  0.617  1.0
  H  H19  1  0.474  0.024  0.383  1.0
  H  H20  1  0.904  0.511  0.915  1.0
  H  H21  1  0.404  0.489  0.085  1.0
  H  H22  1  0.004  0.270  0.971  1.0
  H  H23  1  0.504  0.730  0.029  1.0
  H  H24  1  0.727  0.321  0.998  1.0
  H  H25  1  0.227  0.679  0.002  1.0
  H  H26  1  0.832  0.306  0.768  1.0
  H  H27  1  0.332  0.694  0.232  1.0
  H  H28  1  0.003  0.527  0.499  1.0
  H  H29  1  0.503  0.473  0.501  1.0
  H  H30  1  0.146  0.297  0.512  1.0
  H  H31  1  0.646  0.703  0.488  1.0
  H  H32  1  0.874  0.297  0.444  1.0
  H  H33  1  0.374  0.703  0.556  1.0
  H  H34  1  0.066  0.412  0.288  1.0
  H  H35  1  0.566  0.588  0.712  1.0
  H  H36  1  0.426  0.308  0.770  1.0
  H  H37  1  0.926  0.692  0.230  1.0
  H  H38  1  0.377  0.182  0.940  1.0
  H  H39  1  0.877  0.818  0.060  1.0
  H  H40  1  0.458  0.052  0.616  1.0
  H  H41  1  0.958  0.948  0.384  1.0
  H  H42  1  0.607  0.056  0.773  1.0
  H  H43  1  0.107  0.944  0.227  1.0
  N  N44  1  0.362  0.191  0.809  1.0
  N  N45  1  0.862  0.809  0.191  1.0
  N  N46  1  0.467  0.041  0.747  1.0
  N  N47  1  0.967  0.959  0.253  1.0
[/CIF]
.
The compound described by Li3B3(NH8)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one H(1), one H(10), one H(4), one H(6), and one H(8) atom to form distorted LiH5N pentagonal pyramids that share  a cornercorner with one B(3)H4 tetrahedra,  an edgeedge with one B(1)H4 tetrahedra, and  an edgeedge with one B(2)H4 tetrahedra. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to one N(2), one H(1), one H(11), one H(12), one H(2), one H(6), and one H(7) atom. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one H(10), one H(12), one H(2), one H(3), one H(5), one H(8), and one H(9) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form BH4 tetrahedra that share  an edgeedge with one Li(1)H5N pentagonal pyramid. In the second B site, B(2) is bonded to one H(5), one H(6), one H(7), and one H(8) atom to form BH4 tetrahedra that share  an edgeedge with one Li(1)H5N pentagonal pyramid. In the third B site, B(3) is bonded to one H(10), one H(11), one H(12), and one H(9) atom to form BH4 tetrahedra that share  a cornercorner with one Li(1)H5N pentagonal pyramid. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one Li(1), one H(13), and one H(14) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one Li(2), one H(15), and one H(16) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one B(1) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one B(1) atom. In the third H site, H(3) is bonded in an L-shaped geometry to one Li(3) and one B(1) atom. In the fourth H site, H(4) is bonded in an L-shaped geometry to one Li(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a water-like geometry to one Li(3) and one B(2) atom. In the sixth H site, H(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one B(2) atom. In the seventh H site, H(7) is bonded in a water-like geometry to one Li(2) and one B(2) atom. In the eighth H site, H(8) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(2) atom. In the ninth H site, H(9) is bonded in a bent 120 degrees geometry to one Li(3) and one B(3) atom. In the tenth H site, H(10) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(3) atom. In the eleventh H site, H(11) is bonded in a water-like geometry to one Li(2) and one B(3) atom. In the twelfth H site, H(12) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one B(3) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one N(1) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one N(1) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one N(2) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3B3(H8N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.131
_cell_length_b   7.515
_cell_length_c   7.863
_cell_angle_alpha   87.218
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.870
_cell_formula_units_Z   2
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  0.078  0.178  0.745  1.0
  Li  Li1  1  0.578  0.822  0.255  1.0
  Li  Li2  1  0.352  0.785  0.798  1.0
  Li  Li3  1  0.852  0.215  0.202  1.0
  Li  Li4  1  0.840  0.581  0.683  1.0
  Li  Li5  1  0.340  0.419  0.317  1.0
  B  B6  1  0.999  0.866  0.735  1.0
  B  B7  1  0.499  0.134  0.265  1.0
  B  B8  1  0.867  0.352  0.913  1.0
  B  B9  1  0.367  0.648  0.087  1.0
  B  B10  1  0.020  0.382  0.438  1.0
  B  B11  1  0.520  0.618  0.562  1.0
  H  H12  1  0.089  0.931  0.850  1.0
  H  H13  1  0.589  0.069  0.150  1.0
  H  H14  1  0.087  0.739  0.683  1.0
  H  H15  1  0.587  0.261  0.317  1.0
  H  H16  1  0.847  0.818  0.794  1.0
  H  H17  1  0.347  0.182  0.206  1.0
  H  H18  1  0.974  0.976  0.617  1.0
  H  H19  1  0.474  0.024  0.383  1.0
  H  H20  1  0.904  0.511  0.915  1.0
  H  H21  1  0.404  0.489  0.085  1.0
  H  H22  1  0.004  0.270  0.971  1.0
  H  H23  1  0.504  0.730  0.029  1.0
  H  H24  1  0.727  0.321  0.998  1.0
  H  H25  1  0.227  0.679  0.002  1.0
  H  H26  1  0.832  0.306  0.768  1.0
  H  H27  1  0.332  0.694  0.232  1.0
  H  H28  1  0.003  0.527  0.499  1.0
  H  H29  1  0.503  0.473  0.501  1.0
  H  H30  1  0.146  0.297  0.512  1.0
  H  H31  1  0.646  0.703  0.488  1.0
  H  H32  1  0.874  0.297  0.444  1.0
  H  H33  1  0.374  0.703  0.556  1.0
  H  H34  1  0.066  0.412  0.288  1.0
  H  H35  1  0.566  0.588  0.712  1.0
  H  H36  1  0.426  0.308  0.770  1.0
  H  H37  1  0.926  0.692  0.230  1.0
  H  H38  1  0.377  0.182  0.940  1.0
  H  H39  1  0.877  0.818  0.060  1.0
  H  H40  1  0.458  0.052  0.616  1.0
  H  H41  1  0.958  0.948  0.384  1.0
  H  H42  1  0.607  0.056  0.773  1.0
  H  H43  1  0.107  0.944  0.227  1.0
  N  N44  1  0.362  0.191  0.809  1.0
  N  N45  1  0.862  0.809  0.191  1.0
  N  N46  1  0.467  0.041  0.747  1.0
  N  N47  1  0.967  0.959  0.253  1.0
[/CIF]
.