UFe3B2 crystallizes in the hexagonal P6/mmm space group. U(1) is bonded in a 20-coordinate geometry to two equivalent U(1), twelve equivalent Fe(1), and six equivalent B(1) atoms. Fe(1) is bonded in a square co-planar geometry to four equivalent U(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent U(1) and six equivalent Fe(1) atoms.
UFe3B2 crystallizes in the hexagonal P6/mmm space group. U(1) is bonded in a 20-coordinate geometry to two equivalent U(1), twelve equivalent Fe(1), and six equivalent B(1) atoms. Both U(1)-U(1) bond lengths are 2.81 Å. All U(1)-Fe(1) bond lengths are 2.90 Å. All U(1)-B(1) bond lengths are 2.93 Å. Fe(1) is bonded in a square co-planar geometry to four equivalent U(1) and four equivalent B(1) atoms. All Fe(1)-B(1) bond lengths are 2.03 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent U(1) and six equivalent Fe(1) atoms.