The compound described by NH3BH3 is Tungsten structured and crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two NH3BH3 clusters. B(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent H(1), and two equivalent H(2) atoms. N(1) is bonded in a trigonal planar geometry to one B(1) and two equivalent H(3) atoms. There are three 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.193
_cell_length_c   5.193
_cell_angle_alpha   68.978
_cell_angle_beta   71.614
_cell_angle_gamma   109.017
_symmetry_Int_Tables_number   1
_cell_volume   107.726
_cell_formula_units_Z   1
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  0.000  0.963  0.037  1.0
  H  H1  1  0.830  0.083  0.087  1.0
  H  H2  1  0.170  0.083  0.747  1.0
  H  H3  1  0.172  0.248  0.925  1.0
  H  H4  1  0.828  0.903  0.925  1.0
  H  H5  1  0.140  0.761  0.379  1.0
  H  H6  1  0.860  0.481  0.379  1.0
  N  N7  1  0.000  0.714  0.286  1.0
[/CIF]
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The compound described by NH3BH3 is Tungsten structured and crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two NH3BH3 clusters. B(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent H(1), and two equivalent H(2) atoms. N(1) is bonded in a trigonal planar geometry to one B(1) and two equivalent H(3) atoms. There are three 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.193
_cell_length_c   5.193
_cell_angle_alpha   68.978
_cell_angle_beta   71.614
_cell_angle_gamma   109.017
_symmetry_Int_Tables_number   1
_cell_volume   107.726
_cell_formula_units_Z   1
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  0.000  0.963  0.037  1.0
  H  H1  1  0.830  0.083  0.087  1.0
  H  H2  1  0.170  0.083  0.747  1.0
  H  H3  1  0.172  0.248  0.925  1.0
  H  H4  1  0.828  0.903  0.925  1.0
  H  H5  1  0.140  0.761  0.379  1.0
  H  H6  1  0.860  0.481  0.379  1.0
  N  N7  1  0.000  0.714  0.286  1.0
[/CIF]
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