Sm3Ni7B2 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 20-coordinate geometry to two equivalent Sm(2), twelve equivalent Ni(2), three equivalent B(1), and three equivalent B(2) atoms. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to one Sm(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Sm(2) and six equivalent Ni(2) atoms to form edge-sharing NiSm6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(1), three equivalent Sm(2), one Ni(1), one B(1), and one B(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms.
Sm3Ni7B2 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 20-coordinate geometry to two equivalent Sm(2), twelve equivalent Ni(2), three equivalent B(1), and three equivalent B(2) atoms. Both Sm(1)-Sm(2) bond lengths are 3.15 Å. All Sm(1)-Ni(2) bond lengths are 2.95 Å. All Sm(1)-B(1) bond lengths are 2.98 Å. All Sm(1)-B(2) bond lengths are 2.98 Å. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to one Sm(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. All Sm(2)-Ni(1) bond lengths are 3.01 Å. There are three shorter (3.03 Å) and six longer (3.10 Å) Sm(2)-Ni(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Sm(2) and six equivalent Ni(2) atoms to form edge-sharing NiSm6Ni6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.63 Å. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(1), three equivalent Sm(2), one Ni(1), one B(1), and one B(2) atom. The Ni(2)-B(1) bond length is 2.07 Å. The Ni(2)-B(2) bond length is 2.05 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and six equivalent Ni(2) atoms.