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.
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. The Li(1)-O(3) bond length is 1.99 Å. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(6) bond length is 2.00 Å. The Li(1)-O(8) bond length is 2.17 Å. 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. The Li(2)-O(1) bond length is 1.97 Å. The Li(2)-O(2) bond length is 2.04 Å. The Li(2)-O(5) bond length is 2.16 Å. The Li(2)-O(7) bond length is 2.03 Å. 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. The Li(3)-O(3) bond length is 2.13 Å. The Li(3)-O(4) bond length is 1.97 Å. The Li(3)-O(6) bond length is 2.10 Å. The Li(3)-O(8) bond length is 2.03 Å. 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. The Li(4)-O(1) bond length is 2.08 Å. The Li(4)-O(2) bond length is 2.14 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(7) bond length is 2.03 Å. 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. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.49 Å. The S(1)-O(6) bond length is 1.49 Å. 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. The S(2)-O(4) bond length is 1.49 Å. The S(2)-O(5) bond length is 1.48 Å. The S(2)-O(7) bond length is 1.50 Å. The S(2)-O(8) bond length is 1.49 Å. 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.