The material structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(1), and two equivalent H(2) atoms. N(1) is bonded in a tetrahedral geometry to one B(1), one H(3), and two equivalent H(4) 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 B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(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   4.776
_cell_length_b   6.374
_cell_length_c   7.682
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.851
_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
  B  B0  1  0.669  0.750  0.043  1.0
  B  B1  1  0.831  0.750  0.543  1.0
  B  B2  1  0.331  0.250  0.957  1.0
  B  B3  1  0.169  0.250  0.457  1.0
  H  H4  1  0.583  0.750  0.893  1.0
  H  H5  1  0.917  0.750  0.393  1.0
  H  H6  1  0.417  0.250  0.107  1.0
  H  H7  1  0.083  0.250  0.607  1.0
  H  H8  1  0.192  0.093  0.927  1.0
  H  H9  1  0.308  0.407  0.427  1.0
  H  H10  1  0.808  0.593  0.073  1.0
  H  H11  1  0.692  0.907  0.573  1.0
  H  H12  1  0.808  0.907  0.073  1.0
  H  H13  1  0.692  0.593  0.573  1.0
  H  H14  1  0.192  0.407  0.927  1.0
  H  H15  1  0.308  0.093  0.427  1.0
  H  H16  1  0.461  0.750  0.300  1.0
  H  H17  1  0.039  0.750  0.800  1.0
  H  H18  1  0.539  0.250  0.700  1.0
  H  H19  1  0.961  0.250  0.200  1.0
  H  H20  1  0.720  0.379  0.849  1.0
  H  H21  1  0.780  0.121  0.349  1.0
  H  H22  1  0.280  0.879  0.151  1.0
  H  H23  1  0.220  0.621  0.651  1.0
  H  H24  1  0.280  0.621  0.151  1.0
  H  H25  1  0.220  0.879  0.651  1.0
  H  H26  1  0.720  0.121  0.849  1.0
  H  H27  1  0.780  0.379  0.349  1.0
  N  N28  1  0.404  0.750  0.170  1.0
  N  N29  1  0.096  0.750  0.670  1.0
  N  N30  1  0.596  0.250  0.830  1.0
  N  N31  1  0.904  0.250  0.330  1.0
[/CIF]
.
The material structure described by NH3BH3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NH3BH3 clusters. B(1) is bonded in a tetrahedral geometry to one N(1), one H(1), and two equivalent H(2) atoms. N(1) is bonded in a tetrahedral geometry to one B(1), one H(3), and two equivalent H(4) 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 B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(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   4.776
_cell_length_b   6.374
_cell_length_c   7.682
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.851
_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
  B  B0  1  0.669  0.750  0.043  1.0
  B  B1  1  0.831  0.750  0.543  1.0
  B  B2  1  0.331  0.250  0.957  1.0
  B  B3  1  0.169  0.250  0.457  1.0
  H  H4  1  0.583  0.750  0.893  1.0
  H  H5  1  0.917  0.750  0.393  1.0
  H  H6  1  0.417  0.250  0.107  1.0
  H  H7  1  0.083  0.250  0.607  1.0
  H  H8  1  0.192  0.093  0.927  1.0
  H  H9  1  0.308  0.407  0.427  1.0
  H  H10  1  0.808  0.593  0.073  1.0
  H  H11  1  0.692  0.907  0.573  1.0
  H  H12  1  0.808  0.907  0.073  1.0
  H  H13  1  0.692  0.593  0.573  1.0
  H  H14  1  0.192  0.407  0.927  1.0
  H  H15  1  0.308  0.093  0.427  1.0
  H  H16  1  0.461  0.750  0.300  1.0
  H  H17  1  0.039  0.750  0.800  1.0
  H  H18  1  0.539  0.250  0.700  1.0
  H  H19  1  0.961  0.250  0.200  1.0
  H  H20  1  0.720  0.379  0.849  1.0
  H  H21  1  0.780  0.121  0.349  1.0
  H  H22  1  0.280  0.879  0.151  1.0
  H  H23  1  0.220  0.621  0.651  1.0
  H  H24  1  0.280  0.621  0.151  1.0
  H  H25  1  0.220  0.879  0.651  1.0
  H  H26  1  0.720  0.121  0.849  1.0
  H  H27  1  0.780  0.379  0.349  1.0
  N  N28  1  0.404  0.750  0.170  1.0
  N  N29  1  0.096  0.750  0.670  1.0
  N  N30  1  0.596  0.250  0.830  1.0
  N  N31  1  0.904  0.250  0.330  1.0
[/CIF]
.