The material described by Ba(BH4)2 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Ba(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.910
_cell_length_c   8.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.327
_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
  Ba  Ba0  1  0.500  0.250  0.171  1.0
  Ba  Ba1  1  0.000  0.750  0.329  1.0
  Ba  Ba2  1  0.500  0.750  0.829  1.0
  Ba  Ba3  1  0.000  0.250  0.671  1.0
  B  B4  1  0.759  0.077  0.391  1.0
  B  B5  1  0.259  0.923  0.109  1.0
  B  B6  1  0.741  0.577  0.109  1.0
  B  B7  1  0.241  0.423  0.391  1.0
  B  B8  1  0.241  0.923  0.609  1.0
  B  B9  1  0.741  0.077  0.891  1.0
  B  B10  1  0.259  0.423  0.891  1.0
  B  B11  1  0.759  0.577  0.609  1.0
  H  H12  1  0.725  0.222  0.432  1.0
  H  H13  1  0.225  0.778  0.068  1.0
  H  H14  1  0.775  0.722  0.068  1.0
  H  H15  1  0.275  0.278  0.432  1.0
  H  H16  1  0.275  0.778  0.568  1.0
  H  H17  1  0.775  0.222  0.932  1.0
  H  H18  1  0.225  0.278  0.932  1.0
  H  H19  1  0.725  0.722  0.568  1.0
  H  H20  1  0.838  0.004  0.495  1.0
  H  H21  1  0.338  0.996  0.005  1.0
  H  H22  1  0.662  0.504  0.005  1.0
  H  H23  1  0.162  0.496  0.495  1.0
  H  H24  1  0.162  0.996  0.505  1.0
  H  H25  1  0.662  0.004  0.995  1.0
  H  H26  1  0.338  0.496  0.995  1.0
  H  H27  1  0.838  0.504  0.505  1.0
  H  H28  1  0.619  1.000  0.366  1.0
  H  H29  1  0.119  0.000  0.134  1.0
  H  H30  1  0.881  0.500  0.134  1.0
  H  H31  1  0.381  0.500  0.366  1.0
  H  H32  1  0.381  0.000  0.634  1.0
  H  H33  1  0.881  1.000  0.866  1.0
  H  H34  1  0.119  0.500  0.866  1.0
  H  H35  1  0.619  0.500  0.634  1.0
  H  H36  1  0.854  0.083  0.275  1.0
  H  H37  1  0.354  0.917  0.225  1.0
  H  H38  1  0.646  0.583  0.225  1.0
  H  H39  1  0.146  0.417  0.275  1.0
  H  H40  1  0.146  0.917  0.725  1.0
  H  H41  1  0.646  0.083  0.775  1.0
  H  H42  1  0.354  0.417  0.775  1.0
  H  H43  1  0.854  0.583  0.725  1.0
[/CIF]
.
The material described by Ba(BH4)2 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. is represented by the CIF card [CIF]
data_Ba(BH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.910
_cell_length_c   8.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   510.327
_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
  Ba  Ba0  1  0.500  0.250  0.171  1.0
  Ba  Ba1  1  0.000  0.750  0.329  1.0
  Ba  Ba2  1  0.500  0.750  0.829  1.0
  Ba  Ba3  1  0.000  0.250  0.671  1.0
  B  B4  1  0.759  0.077  0.391  1.0
  B  B5  1  0.259  0.923  0.109  1.0
  B  B6  1  0.741  0.577  0.109  1.0
  B  B7  1  0.241  0.423  0.391  1.0
  B  B8  1  0.241  0.923  0.609  1.0
  B  B9  1  0.741  0.077  0.891  1.0
  B  B10  1  0.259  0.423  0.891  1.0
  B  B11  1  0.759  0.577  0.609  1.0
  H  H12  1  0.725  0.222  0.432  1.0
  H  H13  1  0.225  0.778  0.068  1.0
  H  H14  1  0.775  0.722  0.068  1.0
  H  H15  1  0.275  0.278  0.432  1.0
  H  H16  1  0.275  0.778  0.568  1.0
  H  H17  1  0.775  0.222  0.932  1.0
  H  H18  1  0.225  0.278  0.932  1.0
  H  H19  1  0.725  0.722  0.568  1.0
  H  H20  1  0.838  0.004  0.495  1.0
  H  H21  1  0.338  0.996  0.005  1.0
  H  H22  1  0.662  0.504  0.005  1.0
  H  H23  1  0.162  0.496  0.495  1.0
  H  H24  1  0.162  0.996  0.505  1.0
  H  H25  1  0.662  0.004  0.995  1.0
  H  H26  1  0.338  0.496  0.995  1.0
  H  H27  1  0.838  0.504  0.505  1.0
  H  H28  1  0.619  1.000  0.366  1.0
  H  H29  1  0.119  0.000  0.134  1.0
  H  H30  1  0.881  0.500  0.134  1.0
  H  H31  1  0.381  0.500  0.366  1.0
  H  H32  1  0.381  0.000  0.634  1.0
  H  H33  1  0.881  1.000  0.866  1.0
  H  H34  1  0.119  0.500  0.866  1.0
  H  H35  1  0.619  0.500  0.634  1.0
  H  H36  1  0.854  0.083  0.275  1.0
  H  H37  1  0.354  0.917  0.225  1.0
  H  H38  1  0.646  0.583  0.225  1.0
  H  H39  1  0.146  0.417  0.275  1.0
  H  H40  1  0.146  0.917  0.725  1.0
  H  H41  1  0.646  0.083  0.775  1.0
  H  H42  1  0.354  0.417  0.775  1.0
  H  H43  1  0.854  0.583  0.725  1.0
[/CIF]
.