The crystal structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(3), and two equivalent H(1) atoms. N(1) is bonded in a tetrahedral geometry to one B(1), one H(4), and two equivalent H(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.833
_cell_length_b   4.964
_cell_length_c   5.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.788
_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
  B  B0  1  0.178  0.991  0.000  1.0
  B  B1  1  0.822  0.491  0.500  1.0
  H  H2  1  0.721  0.394  0.313  1.0
  H  H3  1  0.851  0.896  0.346  1.0
  H  H4  1  0.721  0.394  0.687  1.0
  H  H5  1  0.279  0.894  0.813  1.0
  H  H6  1  0.279  0.894  0.187  1.0
  H  H7  1  0.073  0.458  0.500  1.0
  H  H8  1  0.927  0.958  0.000  1.0
  H  H9  1  0.149  0.396  0.154  1.0
  H  H10  1  0.439  0.352  0.000  1.0
  H  H11  1  0.561  0.852  0.500  1.0
  H  H12  1  0.851  0.896  0.654  1.0
  H  H13  1  0.149  0.396  0.846  1.0
  N  N14  1  0.766  0.807  0.500  1.0
  N  N15  1  0.234  0.307  0.000  1.0
[/CIF]
.
The crystal structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(3), and two equivalent H(1) atoms. N(1) is bonded in a tetrahedral geometry to one B(1), one H(4), and two equivalent H(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.833
_cell_length_b   4.964
_cell_length_c   5.369
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.788
_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
  B  B0  1  0.178  0.991  0.000  1.0
  B  B1  1  0.822  0.491  0.500  1.0
  H  H2  1  0.721  0.394  0.313  1.0
  H  H3  1  0.851  0.896  0.346  1.0
  H  H4  1  0.721  0.394  0.687  1.0
  H  H5  1  0.279  0.894  0.813  1.0
  H  H6  1  0.279  0.894  0.187  1.0
  H  H7  1  0.073  0.458  0.500  1.0
  H  H8  1  0.927  0.958  0.000  1.0
  H  H9  1  0.149  0.396  0.154  1.0
  H  H10  1  0.439  0.352  0.000  1.0
  H  H11  1  0.561  0.852  0.500  1.0
  H  H12  1  0.851  0.896  0.654  1.0
  H  H13  1  0.149  0.396  0.846  1.0
  N  N14  1  0.766  0.807  0.500  1.0
  N  N15  1  0.234  0.307  0.000  1.0
[/CIF]
.