The material described by NaBO2 crystallizes in the trigonal R-3c space group. Na(1) is bonded to two equivalent O(1) and five equivalent O(2) atoms to form a mixture of distorted corner, face, and edge-sharing NaO7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent Na(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   7.151
_cell_length_c   7.151
_cell_angle_alpha   111.729
_cell_angle_beta   111.729
_cell_angle_gamma   111.729
_symmetry_Int_Tables_number   1
_cell_volume   255.334
_cell_formula_units_Z   6
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  0.813  0.250  0.687  1.0
  Na  Na1  1  0.687  0.813  0.250  1.0
  Na  Na2  1  0.250  0.687  0.813  1.0
  Na  Na3  1  0.187  0.750  0.313  1.0
  Na  Na4  1  0.313  0.187  0.750  1.0
  Na  Na5  1  0.750  0.313  0.187  1.0
  B  B6  1  0.872  0.750  0.628  1.0
  B  B7  1  0.128  0.250  0.372  1.0
  B  B8  1  0.372  0.128  0.250  1.0
  B  B9  1  0.250  0.372  0.128  1.0
  B  B10  1  0.628  0.872  0.750  1.0
  B  B11  1  0.750  0.628  0.872  1.0
  O  O12  1  0.750  0.867  0.633  1.0
  O  O13  1  0.867  0.633  0.750  1.0
  O  O14  1  0.367  0.250  0.133  1.0
  O  O15  1  0.633  0.750  0.867  1.0
  O  O16  1  0.250  0.133  0.367  1.0
  O  O17  1  0.133  0.367  0.250  1.0
  O  O18  1  0.750  0.518  0.982  1.0
  O  O19  1  0.518  0.982  0.750  1.0
  O  O20  1  0.982  0.750  0.518  1.0
  O  O21  1  0.250  0.482  0.018  1.0
  O  O22  1  0.482  0.018  0.250  1.0
  O  O23  1  0.018  0.250  0.482  1.0
[/CIF]
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The material described by NaBO2 crystallizes in the trigonal R-3c space group. Na(1) is bonded to two equivalent O(1) and five equivalent O(2) atoms to form a mixture of distorted corner, face, and edge-sharing NaO7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent Na(1) and one B(1) atom. is represented by the CIF file [CIF]
data_NaBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   7.151
_cell_length_c   7.151
_cell_angle_alpha   111.729
_cell_angle_beta   111.729
_cell_angle_gamma   111.729
_symmetry_Int_Tables_number   1
_cell_volume   255.334
_cell_formula_units_Z   6
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  0.813  0.250  0.687  1.0
  Na  Na1  1  0.687  0.813  0.250  1.0
  Na  Na2  1  0.250  0.687  0.813  1.0
  Na  Na3  1  0.187  0.750  0.313  1.0
  Na  Na4  1  0.313  0.187  0.750  1.0
  Na  Na5  1  0.750  0.313  0.187  1.0
  B  B6  1  0.872  0.750  0.628  1.0
  B  B7  1  0.128  0.250  0.372  1.0
  B  B8  1  0.372  0.128  0.250  1.0
  B  B9  1  0.250  0.372  0.128  1.0
  B  B10  1  0.628  0.872  0.750  1.0
  B  B11  1  0.750  0.628  0.872  1.0
  O  O12  1  0.750  0.867  0.633  1.0
  O  O13  1  0.867  0.633  0.750  1.0
  O  O14  1  0.367  0.250  0.133  1.0
  O  O15  1  0.633  0.750  0.867  1.0
  O  O16  1  0.250  0.133  0.367  1.0
  O  O17  1  0.133  0.367  0.250  1.0
  O  O18  1  0.750  0.518  0.982  1.0
  O  O19  1  0.518  0.982  0.750  1.0
  O  O20  1  0.982  0.750  0.518  1.0
  O  O21  1  0.250  0.482  0.018  1.0
  O  O22  1  0.482  0.018  0.250  1.0
  O  O23  1  0.018  0.250  0.482  1.0
[/CIF]
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