The material structure described by NaHSO4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_NaHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   5.188
_cell_length_c   9.472
_cell_angle_alpha   67.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.547
_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  0.009  0.987  0.299  1.0
  Na  Na1  1  0.491  0.987  0.799  1.0
  Na  Na2  1  0.991  0.013  0.701  1.0
  Na  Na3  1  0.509  0.013  0.201  1.0
  H  H4  1  0.961  0.619  0.127  1.0
  H  H5  1  0.539  0.619  0.627  1.0
  H  H6  1  0.039  0.381  0.873  1.0
  H  H7  1  0.461  0.381  0.373  1.0
  S  S8  1  0.226  0.596  0.064  1.0
  S  S9  1  0.274  0.596  0.564  1.0
  S  S10  1  0.774  0.404  0.936  1.0
  S  S11  1  0.726  0.404  0.436  1.0
  O  O12  1  0.243  0.301  0.166  1.0
  O  O13  1  0.257  0.301  0.666  1.0
  O  O14  1  0.757  0.699  0.834  1.0
  O  O15  1  0.743  0.699  0.334  1.0
  O  O16  1  0.170  0.633  0.908  1.0
  O  O17  1  0.330  0.633  0.408  1.0
  O  O18  1  0.830  0.367  0.092  1.0
  O  O19  1  0.670  0.367  0.592  1.0
  O  O20  1  0.071  0.722  0.134  1.0
  O  O21  1  0.429  0.722  0.634  1.0
  O  O22  1  0.929  0.278  0.866  1.0
  O  O23  1  0.571  0.278  0.366  1.0
  O  O24  1  0.380  0.764  0.062  1.0
  O  O25  1  0.120  0.764  0.562  1.0
  O  O26  1  0.620  0.236  0.938  1.0
  O  O27  1  0.880  0.236  0.438  1.0
[/CIF]
.
The material structure described by NaHSO4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_NaHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   5.188
_cell_length_c   9.472
_cell_angle_alpha   67.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.547
_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  0.009  0.987  0.299  1.0
  Na  Na1  1  0.491  0.987  0.799  1.0
  Na  Na2  1  0.991  0.013  0.701  1.0
  Na  Na3  1  0.509  0.013  0.201  1.0
  H  H4  1  0.961  0.619  0.127  1.0
  H  H5  1  0.539  0.619  0.627  1.0
  H  H6  1  0.039  0.381  0.873  1.0
  H  H7  1  0.461  0.381  0.373  1.0
  S  S8  1  0.226  0.596  0.064  1.0
  S  S9  1  0.274  0.596  0.564  1.0
  S  S10  1  0.774  0.404  0.936  1.0
  S  S11  1  0.726  0.404  0.436  1.0
  O  O12  1  0.243  0.301  0.166  1.0
  O  O13  1  0.257  0.301  0.666  1.0
  O  O14  1  0.757  0.699  0.834  1.0
  O  O15  1  0.743  0.699  0.334  1.0
  O  O16  1  0.170  0.633  0.908  1.0
  O  O17  1  0.330  0.633  0.408  1.0
  O  O18  1  0.830  0.367  0.092  1.0
  O  O19  1  0.670  0.367  0.592  1.0
  O  O20  1  0.071  0.722  0.134  1.0
  O  O21  1  0.429  0.722  0.634  1.0
  O  O22  1  0.929  0.278  0.866  1.0
  O  O23  1  0.571  0.278  0.366  1.0
  O  O24  1  0.380  0.764  0.062  1.0
  O  O25  1  0.120  0.764  0.562  1.0
  O  O26  1  0.620  0.236  0.938  1.0
  O  O27  1  0.880  0.236  0.438  1.0
[/CIF]
.