Sm2Co5B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(2), three equivalent Sm(1), three equivalent Co(1), and nine equivalent Co(3) atoms. In the second Sm site, Sm(2) is bonded in a 20-coordinate geometry to one Sm(1), one Sm(2), six equivalent Co(2), six equivalent Co(3), three equivalent B(1), and three equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Sm(1) and six equivalent Co(3) atoms to form edge-sharing CoSm6Co6 cuboctahedra. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sm(2), two equivalent B(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Sm(2), three equivalent Sm(1), one Co(1), one B(1), and one B(2) atom. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(2), three equivalent Co(2), and three equivalent Co(3) atoms. In the second B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), three equivalent Co(2), and three equivalent Co(3) atoms.
Sm2Co5B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(2), three equivalent Sm(1), three equivalent Co(1), and nine equivalent Co(3) atoms. The Sm(1)-Sm(2) bond length is 3.05 Å. All Sm(1)-Sm(1) bond lengths are 3.07 Å. All Sm(1)-Co(1) bond lengths are 2.97 Å. There are three shorter (2.99 Å) and six longer (3.06 Å) Sm(1)-Co(3) bond lengths. In the second Sm site, Sm(2) is bonded in a 20-coordinate geometry to one Sm(1), one Sm(2), six equivalent Co(2), six equivalent Co(3), three equivalent B(1), and three equivalent B(2) atoms. The Sm(2)-Sm(2) bond length is 3.00 Å. All Sm(2)-Co(2) bond lengths are 2.96 Å. All Sm(2)-Co(3) bond lengths are 2.88 Å. All Sm(2)-B(1) bond lengths are 2.94 Å. All Sm(2)-B(2) bond lengths are 2.94 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Sm(1) and six equivalent Co(3) atoms to form edge-sharing CoSm6Co6 cuboctahedra. All Co(1)-Co(3) bond lengths are 2.57 Å. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sm(2), two equivalent B(1), and two equivalent B(2) atoms. Both Co(2)-B(1) bond lengths are 2.06 Å. Both Co(2)-B(2) bond lengths are 2.10 Å. In the third Co site, Co(3) is bonded in a distorted L-shaped geometry to two equivalent Sm(2), three equivalent Sm(1), one Co(1), one B(1), and one B(2) atom. The Co(3)-B(1) bond length is 2.00 Å. The Co(3)-B(2) bond length is 2.03 Å. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(2), three equivalent Co(2), and three equivalent Co(3) atoms. In the second B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), three equivalent Co(2), and three equivalent Co(3) atoms.