PaNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form PaNd12 cuboctahedra that share corners with four equivalent Pa(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, edges with eight equivalent Pa(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pa4 cuboctahedra, faces with four equivalent Pa(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Pa4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pa4 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Pa(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdNd8Pa4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Pa4 cuboctahedra, edges with eight equivalent Pa(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)Nd8Pa4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, faces with four equivalent Pa(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Pa4 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Pa4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Pa(1) and eight equivalent Nd(1) atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Pa4 cuboctahedra, corners with eight equivalent Pa(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pa4 cuboctahedra, faces with four equivalent Nd(2)Nd8Pa4 cuboctahedra, faces with six equivalent Pa(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pa4 cuboctahedra.
PaNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pa(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form PaNd12 cuboctahedra that share corners with four equivalent Pa(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, edges with eight equivalent Pa(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pa4 cuboctahedra, faces with four equivalent Pa(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Pa4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pa4 cuboctahedra. All Pa(1)-Nd(2) bond lengths are 3.54 Å. All Pa(1)-Nd(1) bond lengths are 3.57 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Pa(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdNd8Pa4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Pa4 cuboctahedra, edges with eight equivalent Pa(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)Nd8Pa4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, faces with four equivalent Pa(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Pa4 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Pa4 cuboctahedra. All Nd(1)-Nd(1) bond lengths are 3.54 Å. All Nd(1)-Nd(2) bond lengths are 3.57 Å. In the second Nd site, Nd(2) is bonded to four equivalent Pa(1) and eight equivalent Nd(1) atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Pa4 cuboctahedra, corners with eight equivalent Pa(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Pa4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pa4 cuboctahedra, faces with four equivalent Nd(2)Nd8Pa4 cuboctahedra, faces with six equivalent Pa(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pa4 cuboctahedra.