YFeCo3B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1) and twelve equivalent Co(1) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1) and six equivalent B(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(1) atoms. Co(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Fe(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms.
YFeCo3B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Fe(1) and twelve equivalent Co(1) atoms. All Y(1)-Fe(1) bond lengths are 2.91 Å. All Y(1)-Co(1) bond lengths are 3.19 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1) and six equivalent B(1) atoms. All Y(2)-Co(1) bond lengths are 2.91 Å. All Y(2)-B(1) bond lengths are 2.91 Å. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(1) atoms. All Fe(1)-Co(1) bond lengths are 2.43 Å. Co(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Fe(1), and two equivalent B(1) atoms. Both Co(1)-B(1) bond lengths are 2.06 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms.