Lu3AlO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with four equivalent Lu(1)O6 pentagonal pyramids,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. In the second Al site, Al(2) is bonded to six equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Al(1) atom to form a mixture of edge and corner-sharing OLu3Al trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent Lu(1) and one Al(2) atom.
Lu3AlO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with four equivalent Lu(1)O6 pentagonal pyramids,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-44°. There are a spread of Lu(1)-O(1) bond distances ranging from 2.16-2.28 Å. There are a spread of Lu(1)-O(2) bond distances ranging from 2.20-2.23 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. All Al(1)-O(1) bond lengths are 1.98 Å. In the second Al site, Al(2) is bonded to six equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. All Al(2)-O(2) bond lengths are 1.95 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Al(1) atom to form a mixture of edge and corner-sharing OLu3Al trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent Lu(1) and one Al(2) atom.