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LuO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent O atoms to form a mixture of distorted face and corner-sharing LuO12 cuboctahedra. There are six shorter (2.28 Å) and six longer (2.60 Å) Lu–O bond lengths. O is bonded in a distorted see-saw-like geometry to four equivalent Lu atoms.
LuO3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Lu is bonded to six equivalent O atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 67°. All Lu–O bond lengths are 2.23 Å. O is bonded in a distorted trigonal planar geometry to two equivalent Lu and one O atom. The O–O bond length is 1.48 Å.