CsLi2(HO)3 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 7-coordinate geometry to one H(3), two equivalent H(1), three equivalent H(2), and one O(2) atom. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Li(1) and one H(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Li(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one H(3) atom.
CsLi2(HO)3 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 7-coordinate geometry to one H(3), two equivalent H(1), three equivalent H(2), and one O(2) atom. The Cs(1)-H(3) bond length is 3.18 Å. Both Cs(1)-H(1) bond lengths are 3.11 Å. There are two shorter (2.98 Å) and one longer (3.08 Å) Cs(1)-H(2) bond length. The Cs(1)-O(2) bond length is 3.08 Å. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 1.94 Å. There is one shorter (2.00 Å) and one longer (2.03 Å) Li(1)-O(1) bond length. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one O(1) atom. The H(1)-O(1) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one O(2) atom. The H(2)-O(2) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(3) atom. The H(3)-O(3) bond length is 0.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Li(1) and one H(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Li(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one H(3) atom.