ScNb(NiSn)2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent Ni(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. Nb(1) is bonded to one Ni(2), three equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted face-sharing NbNi4Sn6 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Sc(1), three equivalent Nb(1), one Sn(2), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to three equivalent Sc(1), one Nb(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Nb(1), one Ni(2), and three equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Nb(1), one Ni(1), and three equivalent Ni(2) atoms.
ScNb(NiSn)2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent Ni(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. The Sc(1)-Ni(1) bond length is 2.73 Å. All Sc(1)-Ni(2) bond lengths are 2.65 Å. All Sc(1)-Sn(1) bond lengths are 3.04 Å. All Sc(1)-Sn(2) bond lengths are 3.03 Å. Nb(1) is bonded to one Ni(2), three equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted face-sharing NbNi4Sn6 tetrahedra. The Nb(1)-Ni(2) bond length is 2.52 Å. All Nb(1)-Ni(1) bond lengths are 2.61 Å. All Nb(1)-Sn(1) bond lengths are 3.05 Å. All Nb(1)-Sn(2) bond lengths are 3.01 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Sc(1), three equivalent Nb(1), one Sn(2), and three equivalent Sn(1) atoms. The Ni(1)-Sn(2) bond length is 2.55 Å. All Ni(1)-Sn(1) bond lengths are 2.65 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to three equivalent Sc(1), one Nb(1), one Sn(1), and three equivalent Sn(2) atoms. The Ni(2)-Sn(1) bond length is 2.72 Å. All Ni(2)-Sn(2) bond lengths are 2.60 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Nb(1), one Ni(2), and three equivalent Ni(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Nb(1), one Ni(1), and three equivalent Ni(2) atoms.