LiAl2(HO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(2), and one H(2) atom.
LiAl2(HO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Li(1)-O(3) bond lengths are 2.32 Å. Both Li(1)-O(4) bond lengths are 2.35 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 21°. Both Al(1)-O(1) bond lengths are 1.95 Å. Both Al(1)-O(2) bond lengths are 1.91 Å. Both Al(1)-O(3) bond lengths are 1.93 Å. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. Both Al(2)-O(1) bond lengths are 1.91 Å. Both Al(2)-O(2) bond lengths are 1.95 Å. Both Al(2)-O(4) bond lengths are 1.93 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 1.03 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 1.02 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(2), and one H(2) atom.