The material structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(15), one H(3), and one H(4) atom. N(1) is bonded in a tetrahedral geometry to one B(1), one H(5), one H(6), and one H(7) atom. There are six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one B(1) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF card [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.440
_cell_length_c   11.417
_cell_angle_alpha   100.197
_cell_angle_beta   88.967
_cell_angle_gamma   109.275
_symmetry_Int_Tables_number   1
_cell_volume   202.585
_cell_formula_units_Z   3
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
  B  B0  1  0.413  0.260  0.645  1.0
  B  B1  1  0.744  0.602  0.322  1.0
  B  B2  1  0.036  0.959  0.984  1.0
  H  H3  1  0.232  0.850  0.927  1.0
  H  H4  1  0.670  0.464  0.952  1.0
  H  H5  1  0.597  0.384  0.734  1.0
  H  H6  1  0.548  0.129  0.566  1.0
  H  H7  1  0.915  0.088  0.712  1.0
  H  H8  1  0.144  0.881  0.747  1.0
  H  H9  1  0.982  0.808  0.612  1.0
  H  H10  1  0.897  0.739  0.416  1.0
  H  H11  1  0.164  0.144  0.076  1.0
  H  H12  1  0.918  0.096  0.923  1.0
  H  H13  1  0.913  0.484  0.253  1.0
  H  H14  1  0.245  0.407  0.384  1.0
  H  H15  1  0.467  0.181  0.405  1.0
  H  H16  1  0.317  0.159  0.270  1.0
  H  H17  1  0.327  0.464  0.608  1.0
  H  H18  1  0.534  0.726  0.038  1.0
  H  H19  1  0.798  0.584  0.093  1.0
  H  H20  1  0.651  0.789  0.277  1.0
  N  N21  1  0.093  0.991  0.681  1.0
  N  N22  1  0.423  0.317  0.347  1.0
  N  N23  1  0.742  0.663  0.020  1.0
[/CIF]
.
The material structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(15), one H(3), and one H(4) atom. N(1) is bonded in a tetrahedral geometry to one B(1), one H(5), one H(6), and one H(7) atom. There are six inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(4) is bonded in a single-bond geometry to one B(1) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF card [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.440
_cell_length_c   11.417
_cell_angle_alpha   100.197
_cell_angle_beta   88.967
_cell_angle_gamma   109.275
_symmetry_Int_Tables_number   1
_cell_volume   202.585
_cell_formula_units_Z   3
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
  B  B0  1  0.413  0.260  0.645  1.0
  B  B1  1  0.744  0.602  0.322  1.0
  B  B2  1  0.036  0.959  0.984  1.0
  H  H3  1  0.232  0.850  0.927  1.0
  H  H4  1  0.670  0.464  0.952  1.0
  H  H5  1  0.597  0.384  0.734  1.0
  H  H6  1  0.548  0.129  0.566  1.0
  H  H7  1  0.915  0.088  0.712  1.0
  H  H8  1  0.144  0.881  0.747  1.0
  H  H9  1  0.982  0.808  0.612  1.0
  H  H10  1  0.897  0.739  0.416  1.0
  H  H11  1  0.164  0.144  0.076  1.0
  H  H12  1  0.918  0.096  0.923  1.0
  H  H13  1  0.913  0.484  0.253  1.0
  H  H14  1  0.245  0.407  0.384  1.0
  H  H15  1  0.467  0.181  0.405  1.0
  H  H16  1  0.317  0.159  0.270  1.0
  H  H17  1  0.327  0.464  0.608  1.0
  H  H18  1  0.534  0.726  0.038  1.0
  H  H19  1  0.798  0.584  0.093  1.0
  H  H20  1  0.651  0.789  0.277  1.0
  N  N21  1  0.093  0.991  0.681  1.0
  N  N22  1  0.423  0.317  0.347  1.0
  N  N23  1  0.742  0.663  0.020  1.0
[/CIF]
.