Sc3(NiGa2)2 crystallizes in the trigonal P3m1 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to three equivalent Ni(1), three equivalent Ni(4), three equivalent Ga(4), and three equivalent Ga(6) atoms. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to three equivalent Ni(2), three equivalent Ga(1), three equivalent Ga(5), and three equivalent Ga(7) atoms. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to three equivalent Ni(3), three equivalent Ga(2), three equivalent Ga(3), and three equivalent Ga(8) atoms. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to three equivalent Ni(1), three equivalent Ni(4), three equivalent Ga(3), and three equivalent Ga(8) atoms. In the fifth Sc site, Sc(5) is bonded in a 9-coordinate geometry to three equivalent Ni(2), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(6) atoms. In the sixth Sc site, Sc(6) is bonded in a 6-coordinate geometry to three equivalent Ni(3), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(7) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(4), three equivalent Ni(4), and one Ga(6) atom. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(5), one Ga(7), and three equivalent Ga(1) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(6), one Ga(8), and three equivalent Ga(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(4), three equivalent Ni(1), and one Ga(3) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(5), three equivalent Ni(2), and one Ga(4) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(6), three equivalent Ni(3), and one Ga(5) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(4), one Ni(4), and three equivalent Ga(8) atoms. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(5), one Ga(1), and three equivalent Ga(6) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(6), one Ga(2), and three equivalent Ga(7) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(5), one Ni(1), and three equivalent Ga(4) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(6), one Ni(2), and three equivalent Ga(5) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(4), one Ni(3), and three equivalent Ga(3) atoms.
Sc3(NiGa2)2 crystallizes in the trigonal P3m1 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to three equivalent Ni(1), three equivalent Ni(4), three equivalent Ga(4), and three equivalent Ga(6) atoms. All Sc(1)-Ni(1) bond lengths are 2.71 Å. All Sc(1)-Ni(4) bond lengths are 3.02 Å. All Sc(1)-Ga(4) bond lengths are 3.22 Å. All Sc(1)-Ga(6) bond lengths are 2.83 Å. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to three equivalent Ni(2), three equivalent Ga(1), three equivalent Ga(5), and three equivalent Ga(7) atoms. All Sc(2)-Ni(2) bond lengths are 2.73 Å. All Sc(2)-Ga(1) bond lengths are 2.91 Å. All Sc(2)-Ga(5) bond lengths are 3.25 Å. All Sc(2)-Ga(7) bond lengths are 2.82 Å. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to three equivalent Ni(3), three equivalent Ga(2), three equivalent Ga(3), and three equivalent Ga(8) atoms. All Sc(3)-Ni(3) bond lengths are 2.72 Å. All Sc(3)-Ga(2) bond lengths are 2.91 Å. All Sc(3)-Ga(3) bond lengths are 3.28 Å. All Sc(3)-Ga(8) bond lengths are 2.82 Å. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to three equivalent Ni(1), three equivalent Ni(4), three equivalent Ga(3), and three equivalent Ga(8) atoms. All Sc(4)-Ni(1) bond lengths are 3.03 Å. All Sc(4)-Ni(4) bond lengths are 2.72 Å. All Sc(4)-Ga(3) bond lengths are 2.82 Å. All Sc(4)-Ga(8) bond lengths are 3.28 Å. In the fifth Sc site, Sc(5) is bonded in a 9-coordinate geometry to three equivalent Ni(2), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(6) atoms. All Sc(5)-Ni(2) bond lengths are 3.04 Å. All Sc(5)-Ga(1) bond lengths are 2.84 Å. All Sc(5)-Ga(4) bond lengths are 2.84 Å. All Sc(5)-Ga(6) bond lengths are 3.23 Å. In the sixth Sc site, Sc(6) is bonded in a 6-coordinate geometry to three equivalent Ni(3), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(7) atoms. All Sc(6)-Ni(3) bond lengths are 3.06 Å. All Sc(6)-Ga(2) bond lengths are 2.84 Å. All Sc(6)-Ga(5) bond lengths are 2.82 Å. All Sc(6)-Ga(7) bond lengths are 3.26 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(4), three equivalent Ni(4), and one Ga(6) atom. All Ni(1)-Ni(4) bond lengths are 2.51 Å. The Ni(1)-Ga(6) bond length is 2.64 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(5), one Ga(7), and three equivalent Ga(1) atoms. The Ni(2)-Ga(7) bond length is 2.66 Å. All Ni(2)-Ga(1) bond lengths are 2.46 Å. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(6), one Ga(8), and three equivalent Ga(2) atoms. The Ni(3)-Ga(8) bond length is 2.63 Å. All Ni(3)-Ga(2) bond lengths are 2.46 Å. In the fourth Ni site, Ni(4) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(4), three equivalent Ni(1), and one Ga(3) atom. The Ni(4)-Ga(3) bond length is 2.64 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(5), three equivalent Ni(2), and one Ga(4) atom. The Ga(1)-Ga(4) bond length is 2.92 Å. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(6), three equivalent Ni(3), and one Ga(5) atom. The Ga(2)-Ga(5) bond length is 2.90 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(4), one Ni(4), and three equivalent Ga(8) atoms. All Ga(3)-Ga(8) bond lengths are 2.55 Å. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(5), one Ga(1), and three equivalent Ga(6) atoms. All Ga(4)-Ga(6) bond lengths are 2.52 Å. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(6), one Ga(2), and three equivalent Ga(7) atoms. All Ga(5)-Ga(7) bond lengths are 2.54 Å. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Sc(5), one Ni(1), and three equivalent Ga(4) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Sc(2), three equivalent Sc(6), one Ni(2), and three equivalent Ga(5) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to three equivalent Sc(3), three equivalent Sc(4), one Ni(3), and three equivalent Ga(3) atoms.