PuY3 crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded to twelve equivalent Y(1) atoms to form PuY12 cuboctahedra that share corners with six equivalent Pu(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Pu4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Pu4 cuboctahedra, faces with eight equivalent Pu(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Pu4 cuboctahedra. Y(1) is bonded to four equivalent Pu(1) and eight equivalent Y(1) atoms to form YY8Pu4 cuboctahedra that share corners with four equivalent Pu(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Pu4 cuboctahedra, edges with six equivalent Pu(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Pu4 cuboctahedra, faces with four equivalent Pu(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Pu4 cuboctahedra.
PuY3 crystallizes in the hexagonal P6_3/mmc space group. Pu(1) is bonded to twelve equivalent Y(1) atoms to form PuY12 cuboctahedra that share corners with six equivalent Pu(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Pu4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Pu4 cuboctahedra, faces with eight equivalent Pu(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Pu4 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.60 Å) Pu(1)-Y(1) bond lengths. Y(1) is bonded to four equivalent Pu(1) and eight equivalent Y(1) atoms to form YY8Pu4 cuboctahedra that share corners with four equivalent Pu(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Pu4 cuboctahedra, edges with six equivalent Pu(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Pu4 cuboctahedra, faces with four equivalent Pu(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Pu4 cuboctahedra. There are a spread of Y(1)-Y(1) bond distances ranging from 3.45-3.64 Å.