The crystal structure described by Na3B3(HO2)4 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(8), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one H(2), one H(3), one O(1), one O(2), one O(4), and two equivalent O(7) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the third B site, B(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Na(3) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Na(3) and one O(3) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one B(3), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one B(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one B(3), and one H(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(3), one B(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Na(3), one B(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one H(4) atom. is represented by the CIF file [CIF]
data_Na3B3(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.539
_cell_length_b   7.539
_cell_length_c   7.103
_cell_angle_alpha   82.826
_cell_angle_beta   82.826
_cell_angle_gamma   62.084
_symmetry_Int_Tables_number   1
_cell_volume   352.909
_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  0.828  0.015  0.045  1.0
  Na  Na1  1  0.015  0.828  0.545  1.0
  Na  Na2  1  0.264  0.080  0.151  1.0
  Na  Na3  1  0.080  0.264  0.651  1.0
  Na  Na4  1  0.499  0.532  0.122  1.0
  Na  Na5  1  0.532  0.499  0.622  1.0
  B  B6  1  0.097  0.537  0.251  1.0
  B  B7  1  0.537  0.097  0.751  1.0
  B  B8  1  0.739  0.713  0.811  1.0
  B  B9  1  0.713  0.739  0.311  1.0
  B  B10  1  0.355  0.879  0.810  1.0
  B  B11  1  0.879  0.355  0.310  1.0
  H  H12  1  0.377  0.879  0.516  1.0
  H  H13  1  0.879  0.377  0.016  1.0
  H  H14  1  0.326  0.412  0.431  1.0
  H  H15  1  0.412  0.326  0.931  1.0
  H  H16  1  0.193  0.748  0.979  1.0
  H  H17  1  0.748  0.193  0.479  1.0
  H  H18  1  0.085  0.535  0.957  1.0
  H  H19  1  0.535  0.085  0.457  1.0
  O  O20  1  0.289  0.862  0.626  1.0
  O  O21  1  0.862  0.289  0.126  1.0
  O  O22  1  0.245  0.547  0.367  1.0
  O  O23  1  0.547  0.245  0.867  1.0
  O  O24  1  0.205  0.876  0.965  1.0
  O  O25  1  0.876  0.205  0.465  1.0
  O  O26  1  0.185  0.527  0.046  1.0
  O  O27  1  0.527  0.185  0.546  1.0
  O  O28  1  0.068  0.362  0.319  1.0
  O  O29  1  0.362  0.068  0.819  1.0
  O  O30  1  0.905  0.730  0.267  1.0
  O  O31  1  0.730  0.905  0.767  1.0
  O  O32  1  0.557  0.701  0.840  1.0
  O  O33  1  0.701  0.557  0.340  1.0
  O  O34  1  0.916  0.546  0.823  1.0
  O  O35  1  0.546  0.916  0.323  1.0
[/CIF]
.
The crystal structure described by Na3B3(HO2)4 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(8), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one H(2), one H(3), one O(1), one O(2), one O(4), and two equivalent O(7) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the third B site, B(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing BO4 tetrahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Na(3) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Na(3) and one O(3) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one B(3), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one B(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one B(3), and one H(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(3), one B(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Na(3), one B(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one H(4) atom. is represented by the CIF file [CIF]
data_Na3B3(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.539
_cell_length_b   7.539
_cell_length_c   7.103
_cell_angle_alpha   82.826
_cell_angle_beta   82.826
_cell_angle_gamma   62.084
_symmetry_Int_Tables_number   1
_cell_volume   352.909
_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  0.828  0.015  0.045  1.0
  Na  Na1  1  0.015  0.828  0.545  1.0
  Na  Na2  1  0.264  0.080  0.151  1.0
  Na  Na3  1  0.080  0.264  0.651  1.0
  Na  Na4  1  0.499  0.532  0.122  1.0
  Na  Na5  1  0.532  0.499  0.622  1.0
  B  B6  1  0.097  0.537  0.251  1.0
  B  B7  1  0.537  0.097  0.751  1.0
  B  B8  1  0.739  0.713  0.811  1.0
  B  B9  1  0.713  0.739  0.311  1.0
  B  B10  1  0.355  0.879  0.810  1.0
  B  B11  1  0.879  0.355  0.310  1.0
  H  H12  1  0.377  0.879  0.516  1.0
  H  H13  1  0.879  0.377  0.016  1.0
  H  H14  1  0.326  0.412  0.431  1.0
  H  H15  1  0.412  0.326  0.931  1.0
  H  H16  1  0.193  0.748  0.979  1.0
  H  H17  1  0.748  0.193  0.479  1.0
  H  H18  1  0.085  0.535  0.957  1.0
  H  H19  1  0.535  0.085  0.457  1.0
  O  O20  1  0.289  0.862  0.626  1.0
  O  O21  1  0.862  0.289  0.126  1.0
  O  O22  1  0.245  0.547  0.367  1.0
  O  O23  1  0.547  0.245  0.867  1.0
  O  O24  1  0.205  0.876  0.965  1.0
  O  O25  1  0.876  0.205  0.465  1.0
  O  O26  1  0.185  0.527  0.046  1.0
  O  O27  1  0.527  0.185  0.546  1.0
  O  O28  1  0.068  0.362  0.319  1.0
  O  O29  1  0.362  0.068  0.819  1.0
  O  O30  1  0.905  0.730  0.267  1.0
  O  O31  1  0.730  0.905  0.767  1.0
  O  O32  1  0.557  0.701  0.840  1.0
  O  O33  1  0.701  0.557  0.340  1.0
  O  O34  1  0.916  0.546  0.823  1.0
  O  O35  1  0.546  0.916  0.323  1.0
[/CIF]
.