LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent S(2), two equivalent O(1), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to two equivalent S(2), two equivalent O(1), and two equivalent O(2) 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 2-coordinate geometry to one 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 distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent Ba(2), and one Zn(2) atom. 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 a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 56-58°.
LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. The Li(1)-S(1) bond length is 2.36 Å. There is one shorter (2.39 Å) and one longer (2.41 Å) Li(1)-S(2) bond length. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent S(2), two equivalent O(1), and two equivalent O(2) atoms. Both Ba(1)-S(2) bond lengths are 3.38 Å. Both Ba(1)-O(1) bond lengths are 2.80 Å. There is one shorter (2.92 Å) and one longer (2.97 Å) Ba(1)-O(2) bond length. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to two equivalent S(2), two equivalent O(1), and two equivalent O(2) atoms. There is one shorter (3.29 Å) and one longer (3.30 Å) Ba(2)-S(2) bond length. Both Ba(2)-O(1) bond lengths are 2.91 Å. There is one shorter (2.85 Å) and one longer (2.87 Å) Ba(2)-O(2) 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 2.34 Å. The Zn(1)-O(1) bond length is 2.03 Å. The Zn(1)-O(2) bond length is 2.06 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one S(2), one O(1), and one O(2) atom. The Zn(2)-S(2) bond length is 2.38 Å. The Zn(2)-O(1) bond length is 2.04 Å. The Zn(2)-O(2) bond length is 2.02 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent Ba(2), and one Zn(2) atom. 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 a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 56-58°.