Materials Data on LiAlO2 by Materials Project

Abstract

LiAlO2 is beta beryllia-derived structured and crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with six equivalent AlO4 tetrahedra, and an edgeedge with one AlO4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.08 Å) Li–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra, corners with six equivalent LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.78 Å) Al–O bond length. O2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form a mixture of corner and edge-sharing OLi2Al2 tetrahedra.