Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Sm site, Sm(2) is bonded in a 20-coordinate geometry to two equivalent Sm(3), twelve equivalent Co(3), and six equivalent B(1) atoms. In the third Sm site, Sm(3) is bonded in a 18-coordinate geometry to one Sm(2), six equivalent Co(2), six equivalent Co(3), and six equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(3), two equivalent Co(1), and two equivalent B(2) atoms. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to two equivalent Sm(2), two equivalent Sm(3), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(3), three equivalent Co(2), and three equivalent Co(3) atoms.
Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. All Sm(1)-Co(1) bond lengths are 2.90 Å. In the second Sm site, Sm(2) is bonded in a 20-coordinate geometry to two equivalent Sm(3), twelve equivalent Co(3), and six equivalent B(1) atoms. Both Sm(2)-Sm(3) bond lengths are 3.06 Å. All Sm(2)-Co(3) bond lengths are 2.92 Å. All Sm(2)-B(1) bond lengths are 2.90 Å. In the third Sm site, Sm(3) is bonded in a 18-coordinate geometry to one Sm(2), six equivalent Co(2), six equivalent Co(3), and six equivalent B(2) atoms. All Sm(3)-Co(2) bond lengths are 2.85 Å. All Sm(3)-Co(3) bond lengths are 2.96 Å. All Sm(3)-B(2) bond lengths are 2.90 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1) and six equivalent Co(2) atoms. All Co(1)-Co(2) bond lengths are 2.43 Å. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(3), two equivalent Co(1), and two equivalent B(2) atoms. Both Co(2)-B(2) bond lengths are 2.04 Å. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to two equivalent Sm(2), two equivalent Sm(3), two equivalent B(1), and two equivalent B(2) atoms. Both Co(3)-B(1) bond lengths are 2.08 Å. Both Co(3)-B(2) bond lengths are 2.07 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(2) and six equivalent Co(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(3), three equivalent Co(2), and three equivalent Co(3) atoms.