The structure described by NaB(SO4)2 crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Na(1)O6 pentagonal pyramids. B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with two equivalent B(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_NaB(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.688
_cell_length_b   5.553
_cell_length_c   7.886
_cell_angle_alpha   71.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.928
_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  0.567  0.500  0.750  1.0
  Na  Na1  1  0.433  0.500  0.250  1.0
  B  B2  1  0.958  0.000  0.250  1.0
  B  B3  1  0.042  0.000  0.750  1.0
  S  S4  1  0.223  0.870  0.496  1.0
  S  S5  1  0.223  0.130  0.004  1.0
  S  S6  1  0.777  0.130  0.504  1.0
  S  S7  1  0.777  0.870  0.996  1.0
  O  O8  1  0.285  0.127  0.418  1.0
  O  O9  1  0.285  0.873  0.082  1.0
  O  O10  1  0.715  0.873  0.582  1.0
  O  O11  1  0.715  0.127  0.918  1.0
  O  O12  1  0.061  0.821  0.394  1.0
  O  O13  1  0.061  0.179  0.106  1.0
  O  O14  1  0.939  0.179  0.606  1.0
  O  O15  1  0.939  0.821  0.894  1.0
  O  O16  1  0.154  0.826  0.688  1.0
  O  O17  1  0.154  0.174  0.812  1.0
  O  O18  1  0.846  0.174  0.312  1.0
  O  O19  1  0.846  0.826  0.188  1.0
  O  O20  1  0.343  0.665  0.511  1.0
  O  O21  1  0.343  0.335  0.989  1.0
  O  O22  1  0.657  0.335  0.489  1.0
  O  O23  1  0.657  0.665  0.011  1.0
[/CIF]
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The structure described by NaB(SO4)2 crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent S(1)O4 tetrahedra and edges with two equivalent Na(1)O6 pentagonal pyramids. B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with two equivalent B(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_NaB(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.688
_cell_length_b   5.553
_cell_length_c   7.886
_cell_angle_alpha   71.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.928
_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  0.567  0.500  0.750  1.0
  Na  Na1  1  0.433  0.500  0.250  1.0
  B  B2  1  0.958  0.000  0.250  1.0
  B  B3  1  0.042  0.000  0.750  1.0
  S  S4  1  0.223  0.870  0.496  1.0
  S  S5  1  0.223  0.130  0.004  1.0
  S  S6  1  0.777  0.130  0.504  1.0
  S  S7  1  0.777  0.870  0.996  1.0
  O  O8  1  0.285  0.127  0.418  1.0
  O  O9  1  0.285  0.873  0.082  1.0
  O  O10  1  0.715  0.873  0.582  1.0
  O  O11  1  0.715  0.127  0.918  1.0
  O  O12  1  0.061  0.821  0.394  1.0
  O  O13  1  0.061  0.179  0.106  1.0
  O  O14  1  0.939  0.179  0.606  1.0
  O  O15  1  0.939  0.821  0.894  1.0
  O  O16  1  0.154  0.826  0.688  1.0
  O  O17  1  0.154  0.174  0.812  1.0
  O  O18  1  0.846  0.174  0.312  1.0
  O  O19  1  0.846  0.826  0.188  1.0
  O  O20  1  0.343  0.665  0.511  1.0
  O  O21  1  0.343  0.335  0.989  1.0
  O  O22  1  0.657  0.335  0.489  1.0
  O  O23  1  0.657  0.665  0.011  1.0
[/CIF]
.