The material described by Na(BH)6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Na(BH)6 clusters. Na(1) is bonded in a 7-coordinate geometry to one H(1), one H(2), one H(3), one H(4), one H(5), and two equivalent H(6) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(5) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(6) atom. In the third B site, B(3) is bonded in a single-bond geometry to one H(4) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(3) atom. In the fifth B site, B(5) is bonded in a single-bond geometry to one H(1) atom. In the sixth B site, B(6) is bonded in a single-bond geometry to one H(2) atom. There are six inequivalent H sites. In the first H site, H(2) is bonded in a water-like geometry to one Na(1) and one B(6) atom. In the second H site, H(3) is bonded in a water-like geometry to one Na(1) and one B(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Na(1) and one B(3) atom. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one Na(1) and one B(1) atom. In the fifth H site, H(6) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(2) atom. In the sixth H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(BH)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.516
_cell_length_b   6.991
_cell_length_c   9.377
_cell_angle_alpha   47.313
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.788
_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
  Na  Na0  1  0.191  0.888  0.485  1.0
  Na  Na1  1  0.691  0.112  0.015  1.0
  Na  Na2  1  0.809  0.112  0.515  1.0
  Na  Na3  1  0.309  0.888  0.985  1.0
  B  B4  1  0.347  0.590  0.426  1.0
  B  B5  1  0.847  0.410  0.074  1.0
  B  B6  1  0.653  0.410  0.574  1.0
  B  B7  1  0.153  0.590  0.926  1.0
  B  B8  1  0.523  0.205  0.723  1.0
  B  B9  1  0.023  0.795  0.777  1.0
  B  B10  1  0.477  0.795  0.277  1.0
  B  B11  1  0.977  0.205  0.223  1.0
  B  B12  1  0.397  0.263  0.571  1.0
  B  B13  1  0.897  0.737  0.929  1.0
  B  B14  1  0.603  0.737  0.429  1.0
  B  B15  1  0.103  0.263  0.071  1.0
  B  B16  1  0.442  0.735  0.489  1.0
  B  B17  1  0.942  0.265  0.011  1.0
  B  B18  1  0.558  0.265  0.511  1.0
  B  B19  1  0.058  0.735  0.989  1.0
  B  B20  1  0.393  0.406  0.671  1.0
  B  B21  1  0.893  0.594  0.829  1.0
  B  B22  1  0.607  0.594  0.329  1.0
  B  B23  1  0.107  0.406  0.171  1.0
  B  B24  1  0.550  0.497  0.673  1.0
  B  B25  1  0.050  0.503  0.827  1.0
  B  B26  1  0.450  0.503  0.327  1.0
  B  B27  1  0.950  0.497  0.173  1.0
  H  H28  1  0.317  0.342  0.792  1.0
  H  H29  1  0.817  0.658  0.708  1.0
  H  H30  1  0.683  0.658  0.208  1.0
  H  H31  1  0.183  0.342  0.292  1.0
  H  H32  1  0.583  0.500  0.794  1.0
  H  H33  1  0.083  0.500  0.706  1.0
  H  H34  1  0.417  0.500  0.206  1.0
  H  H35  1  0.917  0.500  0.294  1.0
  H  H36  1  0.405  0.905  0.479  1.0
  H  H37  1  0.905  0.095  0.021  1.0
  H  H38  1  0.595  0.095  0.521  1.0
  H  H39  1  0.095  0.905  0.979  1.0
  H  H40  1  0.324  0.095  0.623  1.0
  H  H41  1  0.824  0.905  0.877  1.0
  H  H42  1  0.676  0.905  0.377  1.0
  H  H43  1  0.176  0.095  0.123  1.0
  H  H44  1  0.239  0.652  0.374  1.0
  H  H45  1  0.739  0.348  0.126  1.0
  H  H46  1  0.761  0.348  0.626  1.0
  H  H47  1  0.261  0.652  0.874  1.0
  H  H48  1  0.540  0.993  0.880  1.0
  H  H49  1  0.040  0.007  0.620  1.0
  H  H50  1  0.460  0.007  0.120  1.0
  H  H51  1  0.960  0.993  0.380  1.0
[/CIF]
.
The material described by Na(BH)6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Na(BH)6 clusters. Na(1) is bonded in a 7-coordinate geometry to one H(1), one H(2), one H(3), one H(4), one H(5), and two equivalent H(6) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(5) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(6) atom. In the third B site, B(3) is bonded in a single-bond geometry to one H(4) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(3) atom. In the fifth B site, B(5) is bonded in a single-bond geometry to one H(1) atom. In the sixth B site, B(6) is bonded in a single-bond geometry to one H(2) atom. There are six inequivalent H sites. In the first H site, H(2) is bonded in a water-like geometry to one Na(1) and one B(6) atom. In the second H site, H(3) is bonded in a water-like geometry to one Na(1) and one B(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Na(1) and one B(3) atom. In the fourth H site, H(5) is bonded in a distorted single-bond geometry to one Na(1) and one B(1) atom. In the fifth H site, H(6) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(2) atom. In the sixth H site, H(1) is bonded in a water-like geometry to one Na(1) and one B(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(BH)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.516
_cell_length_b   6.991
_cell_length_c   9.377
_cell_angle_alpha   47.313
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.788
_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
  Na  Na0  1  0.191  0.888  0.485  1.0
  Na  Na1  1  0.691  0.112  0.015  1.0
  Na  Na2  1  0.809  0.112  0.515  1.0
  Na  Na3  1  0.309  0.888  0.985  1.0
  B  B4  1  0.347  0.590  0.426  1.0
  B  B5  1  0.847  0.410  0.074  1.0
  B  B6  1  0.653  0.410  0.574  1.0
  B  B7  1  0.153  0.590  0.926  1.0
  B  B8  1  0.523  0.205  0.723  1.0
  B  B9  1  0.023  0.795  0.777  1.0
  B  B10  1  0.477  0.795  0.277  1.0
  B  B11  1  0.977  0.205  0.223  1.0
  B  B12  1  0.397  0.263  0.571  1.0
  B  B13  1  0.897  0.737  0.929  1.0
  B  B14  1  0.603  0.737  0.429  1.0
  B  B15  1  0.103  0.263  0.071  1.0
  B  B16  1  0.442  0.735  0.489  1.0
  B  B17  1  0.942  0.265  0.011  1.0
  B  B18  1  0.558  0.265  0.511  1.0
  B  B19  1  0.058  0.735  0.989  1.0
  B  B20  1  0.393  0.406  0.671  1.0
  B  B21  1  0.893  0.594  0.829  1.0
  B  B22  1  0.607  0.594  0.329  1.0
  B  B23  1  0.107  0.406  0.171  1.0
  B  B24  1  0.550  0.497  0.673  1.0
  B  B25  1  0.050  0.503  0.827  1.0
  B  B26  1  0.450  0.503  0.327  1.0
  B  B27  1  0.950  0.497  0.173  1.0
  H  H28  1  0.317  0.342  0.792  1.0
  H  H29  1  0.817  0.658  0.708  1.0
  H  H30  1  0.683  0.658  0.208  1.0
  H  H31  1  0.183  0.342  0.292  1.0
  H  H32  1  0.583  0.500  0.794  1.0
  H  H33  1  0.083  0.500  0.706  1.0
  H  H34  1  0.417  0.500  0.206  1.0
  H  H35  1  0.917  0.500  0.294  1.0
  H  H36  1  0.405  0.905  0.479  1.0
  H  H37  1  0.905  0.095  0.021  1.0
  H  H38  1  0.595  0.095  0.521  1.0
  H  H39  1  0.095  0.905  0.979  1.0
  H  H40  1  0.324  0.095  0.623  1.0
  H  H41  1  0.824  0.905  0.877  1.0
  H  H42  1  0.676  0.905  0.377  1.0
  H  H43  1  0.176  0.095  0.123  1.0
  H  H44  1  0.239  0.652  0.374  1.0
  H  H45  1  0.739  0.348  0.126  1.0
  H  H46  1  0.761  0.348  0.626  1.0
  H  H47  1  0.261  0.652  0.874  1.0
  H  H48  1  0.540  0.993  0.880  1.0
  H  H49  1  0.040  0.007  0.620  1.0
  H  H50  1  0.460  0.007  0.120  1.0
  H  H51  1  0.960  0.993  0.380  1.0
[/CIF]
.