Y4(FeB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to six equivalent Y(1), six equivalent Y(2), and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(1) and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Fe(2), and three equivalent B(1) atoms.
Y4(FeB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. All Y(1)-Fe(1) bond lengths are 3.52 Å. All Y(1)-B(1) bond lengths are 2.65 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. All Y(2)-Fe(1) bond lengths are 3.54 Å. All Y(2)-B(1) bond lengths are 2.63 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to six equivalent Y(1), six equivalent Y(2), and two equivalent Fe(2) atoms. Both Fe(1)-Fe(2) bond lengths are 2.49 Å. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(1) and six equivalent B(1) atoms. All Fe(2)-B(1) bond lengths are 2.13 Å. B(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Fe(2), and three equivalent B(1) atoms. There are two shorter (1.78 Å) and one longer (1.79 Å) B(1)-B(1) bond length.