Materials Data on LiAl2H6ClO6 by Materials Project
(LiAl2(HO)6)2Cl2 crystallizes in the hexagonal P6_3/mcm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and two LiAl2(HO)6 sheets oriented in the (0, 0, 1) direction. In each LiAl2(HO)6 sheet, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share edges with six equivalent AlO6 octahedra. All Li–O bond lengths are 2.13 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent AlO6 octahedra. All Al–O bond lengths are 1.90 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one Li1+, two equivalent Al3+, and one H1+ atom.