The crystal structure described by NaSO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent S(2)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent S sites. In the first S site, 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 four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second S site, S(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-70°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one S(2) atom. is represented by the CIF card [CIF]
data_NaSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.864
_cell_length_b   7.043
_cell_length_c   7.057
_cell_angle_alpha   77.832
_cell_angle_beta   82.776
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   330.845
_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  0.451  0.315  0.727  1.0
  Na  Na1  1  0.549  0.685  0.273  1.0
  Na  Na2  1  0.853  0.183  0.325  1.0
  Na  Na3  1  0.147  0.817  0.675  1.0
  S  S4  1  0.383  0.206  0.274  1.0
  S  S5  1  0.617  0.794  0.726  1.0
  S  S6  1  0.958  0.297  0.786  1.0
  S  S7  1  0.042  0.703  0.214  1.0
  O  O8  1  0.353  0.303  0.070  1.0
  O  O9  1  0.647  0.697  0.930  1.0
  O  O10  1  0.485  0.338  0.368  1.0
  O  O11  1  0.515  0.662  0.632  1.0
  O  O12  1  0.193  0.143  0.389  1.0
  O  O13  1  0.807  0.857  0.611  1.0
  O  O14  1  0.514  0.036  0.255  1.0
  O  O15  1  0.486  0.964  0.745  1.0
  O  O16  1  0.849  0.319  0.976  1.0
  O  O17  1  0.151  0.681  0.024  1.0
  O  O18  1  0.106  0.454  0.716  1.0
  O  O19  1  0.894  0.546  0.284  1.0
  O  O20  1  0.063  0.108  0.817  1.0
  O  O21  1  0.937  0.892  0.183  1.0
  O  O22  1  0.817  0.306  0.642  1.0
  O  O23  1  0.183  0.694  0.358  1.0
[/CIF]
.
The crystal structure described by NaSO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent S(2)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent S sites. In the first S site, 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 four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. In the second S site, S(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-70°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one S(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one S(2) atom. is represented by the CIF card [CIF]
data_NaSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.864
_cell_length_b   7.043
_cell_length_c   7.057
_cell_angle_alpha   77.832
_cell_angle_beta   82.776
_cell_angle_gamma   88.285
_symmetry_Int_Tables_number   1
_cell_volume   330.845
_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  0.451  0.315  0.727  1.0
  Na  Na1  1  0.549  0.685  0.273  1.0
  Na  Na2  1  0.853  0.183  0.325  1.0
  Na  Na3  1  0.147  0.817  0.675  1.0
  S  S4  1  0.383  0.206  0.274  1.0
  S  S5  1  0.617  0.794  0.726  1.0
  S  S6  1  0.958  0.297  0.786  1.0
  S  S7  1  0.042  0.703  0.214  1.0
  O  O8  1  0.353  0.303  0.070  1.0
  O  O9  1  0.647  0.697  0.930  1.0
  O  O10  1  0.485  0.338  0.368  1.0
  O  O11  1  0.515  0.662  0.632  1.0
  O  O12  1  0.193  0.143  0.389  1.0
  O  O13  1  0.807  0.857  0.611  1.0
  O  O14  1  0.514  0.036  0.255  1.0
  O  O15  1  0.486  0.964  0.745  1.0
  O  O16  1  0.849  0.319  0.976  1.0
  O  O17  1  0.151  0.681  0.024  1.0
  O  O18  1  0.106  0.454  0.716  1.0
  O  O19  1  0.894  0.546  0.284  1.0
  O  O20  1  0.063  0.108  0.817  1.0
  O  O21  1  0.937  0.892  0.183  1.0
  O  O22  1  0.817  0.306  0.642  1.0
  O  O23  1  0.183  0.694  0.358  1.0
[/CIF]
.