LiLuO2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Lu(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing OLi2Lu3 square pyramids.
LiLuO2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.17 Å. Lu(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are four shorter (2.17 Å) and two longer (2.23 Å) Lu(1)-O(1) bond lengths. O(1) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing OLi2Lu3 square pyramids.