The crystal structure described by Na2B5H5O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(6), one O(9), and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one H(5), one O(11), one O(12), one O(4), one O(8), and two equivalent O(2) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(5) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Na(2) and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(2), one B(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one B(3), one H(2), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(2), one B(2), and one B(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(4), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(4), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(2) and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one H(5) atom. is represented by the CIF file [CIF]
data_Na2B5H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   8.629
_cell_length_c   9.647
_cell_angle_alpha   71.716
_cell_angle_beta   76.853
_cell_angle_gamma   72.048
_symmetry_Int_Tables_number   1
_cell_volume   493.266
_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
  Na  Na0  1  0.961  0.904  0.366  1.0
  Na  Na1  1  0.039  0.096  0.634  1.0
  Na  Na2  1  0.434  0.586  0.155  1.0
  Na  Na3  1  0.566  0.414  0.845  1.0
  B  B4  1  0.854  0.334  0.161  1.0
  B  B5  1  0.146  0.666  0.839  1.0
  B  B6  1  0.181  0.256  0.285  1.0
  B  B7  1  0.819  0.744  0.715  1.0
  B  B8  1  0.846  0.463  0.360  1.0
  B  B9  1  0.154  0.537  0.640  1.0
  B  B10  1  0.374  0.953  0.371  1.0
  B  B11  1  0.626  0.047  0.629  1.0
  B  B12  1  0.582  0.158  0.263  1.0
  B  B13  1  0.418  0.842  0.737  1.0
  H  H14  1  0.841  0.513  0.958  1.0
  H  H15  1  0.159  0.487  0.042  1.0
  H  H16  1  0.814  0.584  0.515  1.0
  H  H17  1  0.186  0.416  0.485  1.0
  H  H18  1  0.496  0.703  0.424  1.0
  H  H19  1  0.504  0.297  0.576  1.0
  H  H20  1  0.719  0.803  0.976  1.0
  H  H21  1  0.281  0.197  0.024  1.0
  H  H22  1  0.079  0.753  0.070  1.0
  H  H23  1  0.921  0.247  0.930  1.0
  O  O24  1  0.786  0.177  0.224  1.0
  O  O25  1  0.214  0.823  0.776  1.0
  O  O26  1  0.791  0.409  0.012  1.0
  O  O27  1  0.209  0.591  0.988  1.0
  O  O28  1  0.088  0.302  0.150  1.0
  O  O29  1  0.912  0.698  0.850  1.0
  O  O30  1  0.747  0.455  0.253  1.0
  O  O31  1  0.253  0.545  0.747  1.0
  O  O32  1  0.734  0.572  0.445  1.0
  O  O33  1  0.266  0.428  0.555  1.0
  O  O34  1  0.051  0.366  0.385  1.0
  O  O35  1  0.949  0.634  0.615  1.0
  O  O36  1  0.187  0.079  0.369  1.0
  O  O37  1  0.813  0.921  0.631  1.0
  O  O38  1  0.398  0.285  0.245  1.0
  O  O39  1  0.602  0.715  0.755  1.0
  O  O40  1  0.355  0.791  0.415  1.0
  O  O41  1  0.645  0.209  0.585  1.0
  O  O42  1  0.574  0.989  0.331  1.0
  O  O43  1  0.426  0.011  0.669  1.0
  O  O44  1  0.589  0.829  0.054  1.0
  O  O45  1  0.411  0.171  0.946  1.0
  O  O46  1  0.028  0.812  0.152  1.0
  O  O47  1  0.972  0.188  0.848  1.0
[/CIF]
.
The crystal structure described by Na2B5H5O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(6), one O(9), and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one H(5), one O(11), one O(12), one O(4), one O(8), and two equivalent O(2) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(8) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(5) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Na(2) and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(2), one B(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one B(3), one H(2), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(2), one B(2), and one B(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(4), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(4), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(2) and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one H(5) atom. is represented by the CIF file [CIF]
data_Na2B5H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   8.629
_cell_length_c   9.647
_cell_angle_alpha   71.716
_cell_angle_beta   76.853
_cell_angle_gamma   72.048
_symmetry_Int_Tables_number   1
_cell_volume   493.266
_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
  Na  Na0  1  0.961  0.904  0.366  1.0
  Na  Na1  1  0.039  0.096  0.634  1.0
  Na  Na2  1  0.434  0.586  0.155  1.0
  Na  Na3  1  0.566  0.414  0.845  1.0
  B  B4  1  0.854  0.334  0.161  1.0
  B  B5  1  0.146  0.666  0.839  1.0
  B  B6  1  0.181  0.256  0.285  1.0
  B  B7  1  0.819  0.744  0.715  1.0
  B  B8  1  0.846  0.463  0.360  1.0
  B  B9  1  0.154  0.537  0.640  1.0
  B  B10  1  0.374  0.953  0.371  1.0
  B  B11  1  0.626  0.047  0.629  1.0
  B  B12  1  0.582  0.158  0.263  1.0
  B  B13  1  0.418  0.842  0.737  1.0
  H  H14  1  0.841  0.513  0.958  1.0
  H  H15  1  0.159  0.487  0.042  1.0
  H  H16  1  0.814  0.584  0.515  1.0
  H  H17  1  0.186  0.416  0.485  1.0
  H  H18  1  0.496  0.703  0.424  1.0
  H  H19  1  0.504  0.297  0.576  1.0
  H  H20  1  0.719  0.803  0.976  1.0
  H  H21  1  0.281  0.197  0.024  1.0
  H  H22  1  0.079  0.753  0.070  1.0
  H  H23  1  0.921  0.247  0.930  1.0
  O  O24  1  0.786  0.177  0.224  1.0
  O  O25  1  0.214  0.823  0.776  1.0
  O  O26  1  0.791  0.409  0.012  1.0
  O  O27  1  0.209  0.591  0.988  1.0
  O  O28  1  0.088  0.302  0.150  1.0
  O  O29  1  0.912  0.698  0.850  1.0
  O  O30  1  0.747  0.455  0.253  1.0
  O  O31  1  0.253  0.545  0.747  1.0
  O  O32  1  0.734  0.572  0.445  1.0
  O  O33  1  0.266  0.428  0.555  1.0
  O  O34  1  0.051  0.366  0.385  1.0
  O  O35  1  0.949  0.634  0.615  1.0
  O  O36  1  0.187  0.079  0.369  1.0
  O  O37  1  0.813  0.921  0.631  1.0
  O  O38  1  0.398  0.285  0.245  1.0
  O  O39  1  0.602  0.715  0.755  1.0
  O  O40  1  0.355  0.791  0.415  1.0
  O  O41  1  0.645  0.209  0.585  1.0
  O  O42  1  0.574  0.989  0.331  1.0
  O  O43  1  0.426  0.011  0.669  1.0
  O  O44  1  0.589  0.829  0.054  1.0
  O  O45  1  0.411  0.171  0.946  1.0
  O  O46  1  0.028  0.812  0.152  1.0
  O  O47  1  0.972  0.188  0.848  1.0
[/CIF]
.