PrFe4B4 crystallizes in the tetragonal P4_2/n space group. Pr(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1) and twelve equivalent B(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to three equivalent Pr(1), five equivalent Fe(1), and one B(1) atom.
PrFe4B4 crystallizes in the tetragonal P4_2/n space group. Pr(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1) and twelve equivalent B(1) atoms. There are four shorter (2.94 Å) and four longer (3.11 Å) Pr(1)-Fe(1) bond lengths. There are a spread of Pr(1)-B(1) bond distances ranging from 2.81-3.33 Å. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and five equivalent B(1) atoms. There are a spread of Fe(1)-B(1) bond distances ranging from 2.02-2.42 Å. B(1) is bonded in a 8-coordinate geometry to three equivalent Pr(1), five equivalent Fe(1), and one B(1) atom. The B(1)-B(1) bond length is 1.76 Å.