PrFe4P12 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent P(1) atoms to form PrP12 cuboctahedra that share faces with eight equivalent Fe(1)P6 octahedra. Fe(1) is bonded to six equivalent P(1) atoms to form FeP6 octahedra that share corners with six equivalent Fe(1)P6 octahedra and faces with two equivalent Pr(1)P12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded in a 5-coordinate geometry to one Pr(1), two equivalent Fe(1), and two equivalent P(1) atoms.
PrFe4P12 crystallizes in the cubic Im-3 space group. Pr(1) is bonded to twelve equivalent P(1) atoms to form PrP12 cuboctahedra that share faces with eight equivalent Fe(1)P6 octahedra. All Pr(1)-P(1) bond lengths are 3.00 Å. Fe(1) is bonded to six equivalent P(1) atoms to form FeP6 octahedra that share corners with six equivalent Fe(1)P6 octahedra and faces with two equivalent Pr(1)P12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Fe(1)-P(1) bond lengths are 2.24 Å. P(1) is bonded in a 5-coordinate geometry to one Pr(1), two equivalent Fe(1), and two equivalent P(1) atoms. There is one shorter (2.27 Å) and one longer (2.35 Å) P(1)-P(1) bond length.