Y4Fe4Co12B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Co(1), and six equivalent Co(2) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Fe(1), one Fe(2), one B(2), and one C(1) atom. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Fe(1), one Fe(2), one B(1), and one B(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms.
Y4Fe4Co12B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), six equivalent Co(1), and six equivalent Co(2) atoms. All Y(1)-Fe(1) bond lengths are 2.88 Å. All Y(1)-Fe(2) bond lengths are 2.88 Å. All Y(1)-Co(1) bond lengths are 3.18 Å. All Y(1)-Co(2) bond lengths are 3.16 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. All Y(2)-Co(1) bond lengths are 2.86 Å. All Y(2)-B(2) bond lengths are 2.88 Å. All Y(2)-C(1) bond lengths are 2.88 Å. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. All Y(3)-Co(2) bond lengths are 2.88 Å. All Y(3)-B(1) bond lengths are 2.88 Å. All Y(3)-B(3) bond lengths are 2.88 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. All Fe(1)-Co(1) bond lengths are 2.44 Å. All Fe(1)-Co(2) bond lengths are 2.41 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. All Fe(2)-Co(1) bond lengths are 2.46 Å. All Fe(2)-Co(2) bond lengths are 2.42 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Fe(1), one Fe(2), one B(2), and one C(1) atom. The Co(1)-B(2) bond length is 2.03 Å. The Co(1)-C(1) bond length is 2.00 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Fe(1), one Fe(2), one B(1), and one B(3) atom. The Co(2)-B(1) bond length is 2.04 Å. The Co(2)-B(3) bond length is 2.04 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms.