The material structure described by Na2BHO3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to two equivalent H(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(3), two equivalent O(2), and three equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. H(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), one O(1), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to three equivalent Na(2), one B(1), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one B(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2BHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.544
_cell_length_b   8.685
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.393
_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  0.250  0.072  0.397  1.0
  Na  Na1  1  0.750  0.928  0.603  1.0
  Na  Na2  1  0.750  0.328  0.553  1.0
  Na  Na3  1  0.750  0.428  0.897  1.0
  Na  Na4  1  0.750  0.828  0.947  1.0
  Na  Na5  1  0.250  0.172  0.053  1.0
  Na  Na6  1  0.250  0.672  0.447  1.0
  Na  Na7  1  0.250  0.572  0.103  1.0
  B  B8  1  0.250  0.137  0.759  1.0
  B  B9  1  0.250  0.637  0.741  1.0
  B  B10  1  0.750  0.863  0.241  1.0
  B  B11  1  0.750  0.363  0.259  1.0
  H  H12  1  0.250  0.903  0.771  1.0
  H  H13  1  0.250  0.403  0.729  1.0
  H  H14  1  0.750  0.597  0.271  1.0
  H  H15  1  0.750  0.097  0.229  1.0
  O  O16  1  0.750  0.004  0.163  1.0
  O  O17  1  0.250  0.128  0.622  1.0
  O  O18  1  0.250  0.996  0.837  1.0
  O  O19  1  0.750  0.872  0.378  1.0
  O  O20  1  0.250  0.271  0.832  1.0
  O  O21  1  0.250  0.496  0.663  1.0
  O  O22  1  0.750  0.729  0.168  1.0
  O  O23  1  0.250  0.628  0.878  1.0
  O  O24  1  0.750  0.229  0.332  1.0
  O  O25  1  0.750  0.372  0.122  1.0
  O  O26  1  0.750  0.504  0.337  1.0
  O  O27  1  0.250  0.771  0.668  1.0
[/CIF]
.
The material structure described by Na2BHO3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to two equivalent H(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent H(1), one O(3), two equivalent O(2), and three equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. H(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Na(2), one O(1), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to three equivalent Na(2), one B(1), and one H(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and one B(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one B(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2BHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.544
_cell_length_b   8.685
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.393
_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  0.250  0.072  0.397  1.0
  Na  Na1  1  0.750  0.928  0.603  1.0
  Na  Na2  1  0.750  0.328  0.553  1.0
  Na  Na3  1  0.750  0.428  0.897  1.0
  Na  Na4  1  0.750  0.828  0.947  1.0
  Na  Na5  1  0.250  0.172  0.053  1.0
  Na  Na6  1  0.250  0.672  0.447  1.0
  Na  Na7  1  0.250  0.572  0.103  1.0
  B  B8  1  0.250  0.137  0.759  1.0
  B  B9  1  0.250  0.637  0.741  1.0
  B  B10  1  0.750  0.863  0.241  1.0
  B  B11  1  0.750  0.363  0.259  1.0
  H  H12  1  0.250  0.903  0.771  1.0
  H  H13  1  0.250  0.403  0.729  1.0
  H  H14  1  0.750  0.597  0.271  1.0
  H  H15  1  0.750  0.097  0.229  1.0
  O  O16  1  0.750  0.004  0.163  1.0
  O  O17  1  0.250  0.128  0.622  1.0
  O  O18  1  0.250  0.996  0.837  1.0
  O  O19  1  0.750  0.872  0.378  1.0
  O  O20  1  0.250  0.271  0.832  1.0
  O  O21  1  0.250  0.496  0.663  1.0
  O  O22  1  0.750  0.729  0.168  1.0
  O  O23  1  0.250  0.628  0.878  1.0
  O  O24  1  0.750  0.229  0.332  1.0
  O  O25  1  0.750  0.372  0.122  1.0
  O  O26  1  0.750  0.504  0.337  1.0
  O  O27  1  0.250  0.771  0.668  1.0
[/CIF]
.