ScTi(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. Ti(1) is bonded in a 10-coordinate geometry to one Ni(2), three equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. 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 Ti(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to three equivalent Sc(1), one Ti(1), one Sn(2), and three equivalent Sn(1) 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 Ti(1), one Ni(1), and three equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Ti(1), one Ni(2), and three equivalent Ni(1) atoms.
ScTi(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 2.67 Å. All Sc(1)-Ni(2) bond lengths are 2.64 Å. All Sc(1)-Sn(1) bond lengths are 3.06 Å. All Sc(1)-Sn(2) bond lengths are 3.04 Å. Ti(1) is bonded in a 10-coordinate geometry to one Ni(2), three equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. The Ti(1)-Ni(2) bond length is 2.59 Å. All Ti(1)-Ni(1) bond lengths are 2.59 Å. All Ti(1)-Sn(1) bond lengths are 3.01 Å. All Ti(1)-Sn(2) bond lengths are 2.98 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 Ti(1), one Sn(1), and three equivalent Sn(2) atoms. The Ni(1)-Sn(1) bond length is 2.53 Å. All Ni(1)-Sn(2) bond lengths are 2.61 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to three equivalent Sc(1), one Ti(1), one Sn(2), and three equivalent Sn(1) atoms. The Ni(2)-Sn(2) bond length is 2.76 Å. All Ni(2)-Sn(1) 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 Ti(1), one Ni(1), and three equivalent Ni(2) atoms. In the second Sn site, Sn(2) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Ti(1), one Ni(2), and three equivalent Ni(1) atoms.