LiClH2O crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent Cl(1) atoms to form distorted edge-sharing LiCl4O2 octahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded to one Li(1), one Li(2), and two equivalent H(1) atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl(1) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Li(1) atoms.
LiClH2O crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent Cl(1) atoms to form distorted edge-sharing LiCl4O2 octahedra. Both Li(1)-O(1) bond lengths are 2.05 Å. All Li(1)-Cl(1) bond lengths are 2.69 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. Both Li(2)-O(1) bond lengths are 2.03 Å. Both Li(2)-Cl(1) bond lengths are 2.56 Å. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. O(1) is bonded to one Li(1), one Li(2), and two equivalent H(1) atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl(1) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Li(1) atoms.