Sc3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to twelve equivalent Ni(2) atoms to form distorted ScNi12 cuboctahedra that share edges with twenty-four equivalent Ni(1)ScNi6B3 tetrahedra and faces with eight equivalent Sc(2)Ni16 tetrahedra. In the second Sc site, Sc(2) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted ScNi16 tetrahedra that share edges with six equivalent Sc(2)Ni16 tetrahedra, edges with twelve equivalent Ni(1)ScNi6B3 tetrahedra, faces with four equivalent Sc(1)Ni12 cuboctahedra, and faces with four equivalent Ni(1)ScNi6B3 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Sc(2), six equivalent Ni(2), and three equivalent B(1) atoms to form distorted NiScNi6B3 tetrahedra that share corners with three equivalent Ni(1)ScNi6B3 tetrahedra, edges with three equivalent Sc(1)Ni12 cuboctahedra, edges with three equivalent Sc(2)Ni16 tetrahedra, edges with three equivalent Ni(1)ScNi6B3 tetrahedra,  a faceface with one Sc(2)Ni16 tetrahedra, and faces with six equivalent Ni(1)ScNi6B3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Sc(1), two equivalent Sc(2), four equivalent Ni(1), five equivalent Ni(2), and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.
Sc3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to twelve equivalent Ni(2) atoms to form distorted ScNi12 cuboctahedra that share edges with twenty-four equivalent Ni(1)ScNi6B3 tetrahedra and faces with eight equivalent Sc(2)Ni16 tetrahedra. All Sc(1)-Ni(2) bond lengths are 2.58 Å. In the second Sc site, Sc(2) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted ScNi16 tetrahedra that share edges with six equivalent Sc(2)Ni16 tetrahedra, edges with twelve equivalent Ni(1)ScNi6B3 tetrahedra, faces with four equivalent Sc(1)Ni12 cuboctahedra, and faces with four equivalent Ni(1)ScNi6B3 tetrahedra. All Sc(2)-Ni(1) bond lengths are 2.50 Å. All Sc(2)-Ni(2) bond lengths are 2.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Sc(2), six equivalent Ni(2), and three equivalent B(1) atoms to form distorted NiScNi6B3 tetrahedra that share corners with three equivalent Ni(1)ScNi6B3 tetrahedra, edges with three equivalent Sc(1)Ni12 cuboctahedra, edges with three equivalent Sc(2)Ni16 tetrahedra, edges with three equivalent Ni(1)ScNi6B3 tetrahedra,  a faceface with one Sc(2)Ni16 tetrahedra, and faces with six equivalent Ni(1)ScNi6B3 tetrahedra. All Ni(1)-Ni(2) bond lengths are 2.65 Å. All Ni(1)-B(1) bond lengths are 2.13 Å. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Sc(1), two equivalent Sc(2), four equivalent Ni(1), five equivalent Ni(2), and two equivalent B(1) atoms. There is one shorter (2.36 Å) and four longer (2.58 Å) Ni(2)-Ni(2) bond lengths. Both Ni(2)-B(1) bond lengths are 2.09 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.