The material described by Li2SO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one S(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one S(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Li2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.401
_cell_length_c   5.673
_cell_angle_alpha   91.766
_cell_angle_beta   90.710
_cell_angle_gamma   90.320
_symmetry_Int_Tables_number   1
_cell_volume   165.075
_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
  Li  Li0  1  0.490  0.986  0.620  1.0
  Li  Li1  1  0.017  0.518  0.383  1.0
  Li  Li2  1  0.495  0.987  0.120  1.0
  Li  Li3  1  0.005  0.508  0.884  1.0
  S  S4  1  0.993  0.012  0.001  1.0
  S  S5  1  0.505  0.490  0.498  1.0
  O  O6  1  0.030  0.245  0.144  1.0
  O  O7  1  0.957  0.793  0.150  1.0
  O  O8  1  0.764  0.041  0.854  1.0
  O  O9  1  0.528  0.249  0.367  1.0
  O  O10  1  0.291  0.470  0.659  1.0
  O  O11  1  0.217  0.968  0.856  1.0
  O  O12  1  0.744  0.544  0.627  1.0
  O  O13  1  0.453  0.702  0.342  1.0
[/CIF]
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The material described by Li2SO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one S(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one S(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one Li(4), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one S(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one S(2) atom. is represented by the CIF card [CIF]
data_Li2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.401
_cell_length_c   5.673
_cell_angle_alpha   91.766
_cell_angle_beta   90.710
_cell_angle_gamma   90.320
_symmetry_Int_Tables_number   1
_cell_volume   165.075
_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
  Li  Li0  1  0.490  0.986  0.620  1.0
  Li  Li1  1  0.017  0.518  0.383  1.0
  Li  Li2  1  0.495  0.987  0.120  1.0
  Li  Li3  1  0.005  0.508  0.884  1.0
  S  S4  1  0.993  0.012  0.001  1.0
  S  S5  1  0.505  0.490  0.498  1.0
  O  O6  1  0.030  0.245  0.144  1.0
  O  O7  1  0.957  0.793  0.150  1.0
  O  O8  1  0.764  0.041  0.854  1.0
  O  O9  1  0.528  0.249  0.367  1.0
  O  O10  1  0.291  0.470  0.659  1.0
  O  O11  1  0.217  0.968  0.856  1.0
  O  O12  1  0.744  0.544  0.627  1.0
  O  O13  1  0.453  0.702  0.342  1.0
[/CIF]
.