LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted linear geometry to one Ba(2), one S(1), one S(2), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Zn(2), two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), one O(1), and one O(2) atom to form distorted corner-sharing ZnS2O2 tetrahedra. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent S(2), one O(1), and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form distorted edge-sharing OBa4Zn2 octahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Zn(1), and one Zn(2) atom.
LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted linear geometry to one Ba(2), one S(1), one S(2), and two equivalent O(2) atoms. The Li(1)-Ba(2) bond length is 3.03 Å. The Li(1)-S(1) bond length is 2.67 Å. The Li(1)-S(2) bond length is 2.58 Å. Both Li(1)-O(2) bond lengths are 2.02 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. There is one shorter (3.19 Å) and one longer (3.38 Å) Ba(1)-S(1) bond length. There is one shorter (3.21 Å) and one longer (3.22 Å) Ba(1)-S(2) bond length. There is one shorter (2.82 Å) and one longer (2.83 Å) Ba(1)-O(1) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Zn(2), two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. There is one shorter (3.38 Å) and one longer (3.39 Å) Ba(2)-Zn(2) bond length. There is one shorter (3.19 Å) and one longer (3.20 Å) Ba(2)-S(1) bond length. There is one shorter (3.17 Å) and one longer (3.39 Å) Ba(2)-S(2) bond length. There is one shorter (3.16 Å) and one longer (3.17 Å) Ba(2)-O(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), one O(1), and one O(2) atom to form distorted corner-sharing ZnS2O2 tetrahedra. Both Zn(1)-S(1) bond lengths are 2.41 Å. The Zn(1)-O(1) bond length is 2.01 Å. The Zn(1)-O(2) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent S(2), one O(1), and one O(2) atom. There is one shorter (2.42 Å) and one longer (2.43 Å) Zn(2)-S(2) bond length. The Zn(2)-O(1) bond length is 2.09 Å. The Zn(2)-O(2) bond length is 1.98 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form distorted edge-sharing OBa4Zn2 octahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Zn(1), and one Zn(2) atom.