UFe2B6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 16-coordinate geometry to four equivalent B(1) and twelve equivalent B(2) atoms. Fe(1) is bonded in a 10-coordinate geometry to four equivalent B(1) and six equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to three equivalent U(1), three equivalent Fe(1), one B(1), and two equivalent B(2) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent Fe(1), one B(1), and two equivalent B(2) atoms.
UFe2B6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 16-coordinate geometry to four equivalent B(1) and twelve equivalent B(2) atoms. All U(1)-B(1) bond lengths are 2.68 Å. There are eight shorter (2.76 Å) and four longer (2.88 Å) U(1)-B(2) bond lengths. Fe(1) is bonded in a 10-coordinate geometry to four equivalent B(1) and six equivalent B(2) atoms. All Fe(1)-B(1) bond lengths are 2.19 Å. There are two shorter (2.02 Å) and four longer (2.16 Å) Fe(1)-B(2) bond lengths. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to three equivalent U(1), three equivalent Fe(1), one B(1), and two equivalent B(2) atoms. The B(2)-B(1) bond length is 1.71 Å. Both B(2)-B(2) bond lengths are 1.80 Å. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent Fe(1), one B(1), and two equivalent B(2) atoms. The B(1)-B(1) bond length is 1.77 Å.