The compound described by Zn(BH4)2 crystallizes in the tetragonal I4_122 space group. Zn(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to one Zn(1) and one B(1) atom. In the second H site, H(1) is bonded in an L-shaped geometry to one Zn(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Zn(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.903
_cell_length_b   6.903
_cell_length_c   7.724
_cell_angle_alpha   116.542
_cell_angle_beta   116.542
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.235
_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
  Zn  Zn0  1  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.875  0.064  0.250  1.0
  B  B3  1  0.375  0.186  0.250  1.0
  B  B4  1  0.936  0.125  0.750  1.0
  B  B5  1  0.814  0.625  0.750  1.0
  H  H6  1  0.295  0.994  0.089  1.0
  H  H7  1  0.794  0.095  0.089  1.0
  H  H8  1  0.956  0.256  0.411  1.0
  H  H9  1  0.455  0.155  0.411  1.0
  H  H10  1  0.006  0.705  0.911  1.0
  H  H11  1  0.905  0.206  0.911  1.0
  H  H12  1  0.744  0.044  0.589  1.0
  H  H13  1  0.845  0.545  0.589  1.0
  H  H14  1  0.248  0.302  0.277  1.0
  H  H15  1  0.029  0.976  0.277  1.0
  H  H16  1  0.721  0.948  0.223  1.0
  H  H17  1  0.502  0.274  0.223  1.0
  H  H18  1  0.698  0.752  0.723  1.0
  H  H19  1  0.024  0.971  0.723  1.0
  H  H20  1  0.052  0.279  0.777  1.0
  H  H21  1  0.726  0.498  0.777  1.0
[/CIF]
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The compound described by Zn(BH4)2 crystallizes in the tetragonal I4_122 space group. Zn(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted single-bond geometry to one Zn(1) and one B(1) atom. In the second H site, H(1) is bonded in an L-shaped geometry to one Zn(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Zn(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.903
_cell_length_b   6.903
_cell_length_c   7.724
_cell_angle_alpha   116.542
_cell_angle_beta   116.542
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.235
_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
  Zn  Zn0  1  0.750  0.250  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.875  0.064  0.250  1.0
  B  B3  1  0.375  0.186  0.250  1.0
  B  B4  1  0.936  0.125  0.750  1.0
  B  B5  1  0.814  0.625  0.750  1.0
  H  H6  1  0.295  0.994  0.089  1.0
  H  H7  1  0.794  0.095  0.089  1.0
  H  H8  1  0.956  0.256  0.411  1.0
  H  H9  1  0.455  0.155  0.411  1.0
  H  H10  1  0.006  0.705  0.911  1.0
  H  H11  1  0.905  0.206  0.911  1.0
  H  H12  1  0.744  0.044  0.589  1.0
  H  H13  1  0.845  0.545  0.589  1.0
  H  H14  1  0.248  0.302  0.277  1.0
  H  H15  1  0.029  0.976  0.277  1.0
  H  H16  1  0.721  0.948  0.223  1.0
  H  H17  1  0.502  0.274  0.223  1.0
  H  H18  1  0.698  0.752  0.723  1.0
  H  H19  1  0.024  0.971  0.723  1.0
  H  H20  1  0.052  0.279  0.777  1.0
  H  H21  1  0.726  0.498  0.777  1.0
[/CIF]
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