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PaAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing PaAl12 cuboctahedra. There are six shorter (3.05 Å) and six longer (3.15 Å) Pa–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Pa and six equivalent Al atoms. All Al–Al bond lengths are 2.80 Å.
Pa3Al is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra. All Pa–Pa bond lengths are 3.19 Å. All Pa–Al bond lengths are 3.19 Å. In the second Pa site, Pa is bonded to eight equivalent Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent PaPa8Al4 cuboctahedra, corners with eight equivalent AlPa12 cuboctahedra, edges with twenty-four PaPa8Al4 cuboctahedra, faces with six equivalent AlPa12 cuboctahedra, and faces with twelve PaPa8Al4 cuboctahedra. All Pa–Al bond lengths are 3.19 Å. Al is bonded to twelve Pa atoms to form AlPa12 cuboctahedra that share corners with four equivalent AlPa12 cuboctahedra, corners with eight equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen equivalent PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra.
PaAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Al atoms to form PaAl12 cuboctahedra that share corners with twelve equivalent PaAl12 cuboctahedra, edges with twenty-four equivalent AlPa4Al8 cuboctahedra, faces with six equivalent PaAl12 cuboctahedra, and faces with twelve equivalent AlPa4Al8 cuboctahedra. All Pa–Al bond lengths are 3.05 Å. Al is bonded to four equivalent Pa and eight equivalent Al atoms to form AlPa4Al8 cuboctahedra that share corners with twelve equivalent AlPa4Al8 cuboctahedra, edges with eight equivalent PaAl12 cuboctahedra, edges with sixteen equivalent AlPa4Al8 cuboctahedra, faces with four equivalent PaAl12 cuboctahedra, and faces with fourteen equivalent AlPa4Al8 cuboctahedra. All Al–Al bond lengths are 3.05 Å.