The crystal structure described by NH4BH4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pma2 space group. The structure is zero-dimensional and consists of two ammonium molecules and two BH4 clusters. In each BH4 cluster, B(1) is bonded in a tetrahedral geometry to one H(4), one H(5), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH8N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.143
_cell_length_c   8.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.393
_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  0.524  0.455  0.250  1.0
  B  B1  1  0.524  0.545  0.750  1.0
  H  H2  1  0.900  0.850  0.566  1.0
  H  H3  1  0.900  0.150  0.434  1.0
  H  H4  1  0.900  0.850  0.934  1.0
  H  H5  1  0.900  0.150  0.066  1.0
  H  H6  1  0.191  0.137  0.573  1.0
  H  H7  1  0.191  0.863  0.427  1.0
  H  H8  1  0.191  0.137  0.927  1.0
  H  H9  1  0.191  0.863  0.073  1.0
  H  H10  1  0.650  0.573  0.135  1.0
  H  H11  1  0.650  0.427  0.865  1.0
  H  H12  1  0.650  0.573  0.365  1.0
  H  H13  1  0.650  0.427  0.635  1.0
  H  H14  1  0.571  0.161  0.250  1.0
  H  H15  1  0.571  0.839  0.750  1.0
  H  H16  1  0.228  0.505  0.250  1.0
  H  H17  1  0.228  0.495  0.750  1.0
  N  N18  1  0.047  0.000  0.500  1.0
  N  N19  1  0.047  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by NH4BH4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pma2 space group. The structure is zero-dimensional and consists of two ammonium molecules and two BH4 clusters. In each BH4 cluster, B(1) is bonded in a tetrahedral geometry to one H(4), one H(5), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH8N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.143
_cell_length_c   8.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.393
_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  0.524  0.455  0.250  1.0
  B  B1  1  0.524  0.545  0.750  1.0
  H  H2  1  0.900  0.850  0.566  1.0
  H  H3  1  0.900  0.150  0.434  1.0
  H  H4  1  0.900  0.850  0.934  1.0
  H  H5  1  0.900  0.150  0.066  1.0
  H  H6  1  0.191  0.137  0.573  1.0
  H  H7  1  0.191  0.863  0.427  1.0
  H  H8  1  0.191  0.137  0.927  1.0
  H  H9  1  0.191  0.863  0.073  1.0
  H  H10  1  0.650  0.573  0.135  1.0
  H  H11  1  0.650  0.427  0.865  1.0
  H  H12  1  0.650  0.573  0.365  1.0
  H  H13  1  0.650  0.427  0.635  1.0
  H  H14  1  0.571  0.161  0.250  1.0
  H  H15  1  0.571  0.839  0.750  1.0
  H  H16  1  0.228  0.505  0.250  1.0
  H  H17  1  0.228  0.495  0.750  1.0
  N  N18  1  0.047  0.000  0.500  1.0
  N  N19  1  0.047  0.000  0.000  1.0
[/CIF]
.