PaFe3 is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. Pa(1) is bonded to four equivalent Fe(1) and eight equivalent Fe(2) atoms to form PaFe12 cuboctahedra that share corners with twelve equivalent Pa(1)Fe12 cuboctahedra, edges with eight equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with sixteen equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Fe(1)Pa4Fe8 cuboctahedra, faces with six equivalent Pa(1)Fe12 cuboctahedra, and faces with eight equivalent Fe(2)Pa4Fe8 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Pa(1) and eight equivalent Fe(2) atoms to form FePa4Fe8 cuboctahedra that share corners with twelve equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with eight equivalent Pa(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Pa(1)Fe12 cuboctahedra, faces with six equivalent Fe(1)Pa4Fe8 cuboctahedra, and faces with eight equivalent Fe(2)Pa4Fe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to four equivalent Pa(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form FePa4Fe8 cuboctahedra that share corners with twelve equivalent Fe(2)Pa4Fe8 cuboctahedra, edges with eight equivalent Pa(1)Fe12 cuboctahedra, edges with eight equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with eight equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Pa(1)Fe12 cuboctahedra, faces with four equivalent Fe(1)Pa4Fe8 cuboctahedra, and faces with ten equivalent Fe(2)Pa4Fe8 cuboctahedra.
PaFe3 is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. Pa(1) is bonded to four equivalent Fe(1) and eight equivalent Fe(2) atoms to form PaFe12 cuboctahedra that share corners with twelve equivalent Pa(1)Fe12 cuboctahedra, edges with eight equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with sixteen equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Fe(1)Pa4Fe8 cuboctahedra, faces with six equivalent Pa(1)Fe12 cuboctahedra, and faces with eight equivalent Fe(2)Pa4Fe8 cuboctahedra. All Pa(1)-Fe(1) bond lengths are 2.73 Å. All Pa(1)-Fe(2) bond lengths are 2.73 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Pa(1) and eight equivalent Fe(2) atoms to form FePa4Fe8 cuboctahedra that share corners with twelve equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with eight equivalent Pa(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Pa(1)Fe12 cuboctahedra, faces with six equivalent Fe(1)Pa4Fe8 cuboctahedra, and faces with eight equivalent Fe(2)Pa4Fe8 cuboctahedra. All Fe(1)-Fe(2) bond lengths are 2.73 Å. In the second Fe site, Fe(2) is bonded to four equivalent Pa(1), four equivalent Fe(1), and four equivalent Fe(2) atoms to form FePa4Fe8 cuboctahedra that share corners with twelve equivalent Fe(2)Pa4Fe8 cuboctahedra, edges with eight equivalent Pa(1)Fe12 cuboctahedra, edges with eight equivalent Fe(1)Pa4Fe8 cuboctahedra, edges with eight equivalent Fe(2)Pa4Fe8 cuboctahedra, faces with four equivalent Pa(1)Fe12 cuboctahedra, faces with four equivalent Fe(1)Pa4Fe8 cuboctahedra, and faces with ten equivalent Fe(2)Pa4Fe8 cuboctahedra. All Fe(2)-Fe(2) bond lengths are 2.73 Å.