Sc3NiGa5 crystallizes in the monoclinic C2 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(5) atom. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Sc(3), one Ga(5), one Ga(6), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the sixth Ga site, Ga(6) is bonded in a distorted cuboctahedral geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms.
Sc3NiGa5 crystallizes in the monoclinic C2 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. There is one shorter (2.78 Å) and one longer (2.92 Å) Sc(1)-Ni(1) bond length. The Sc(1)-Ga(1) bond length is 2.83 Å. The Sc(1)-Ga(5) bond length is 3.17 Å. The Sc(1)-Ga(6) bond length is 3.22 Å. There is one shorter (2.93 Å) and one longer (3.21 Å) Sc(1)-Ga(2) bond length. There is one shorter (2.92 Å) and one longer (3.33 Å) Sc(1)-Ga(3) bond length. There is one shorter (2.84 Å) and one longer (2.89 Å) Sc(1)-Ga(4) bond length. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. There is one shorter (2.74 Å) and one longer (2.75 Å) Sc(2)-Ni(1) bond length. The Sc(2)-Ga(1) bond length is 2.83 Å. The Sc(2)-Ga(5) bond length is 2.82 Å. The Sc(2)-Ga(6) bond length is 3.08 Å. There is one shorter (3.35 Å) and one longer (3.42 Å) Sc(2)-Ga(2) bond length. There is one shorter (3.00 Å) and one longer (3.05 Å) Sc(2)-Ga(3) bond length. There is one shorter (2.91 Å) and one longer (2.92 Å) Sc(2)-Ga(4) bond length. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. There is one shorter (2.81 Å) and one longer (2.88 Å) Sc(3)-Ni(1) bond length. The Sc(3)-Ga(1) bond length is 2.84 Å. The Sc(3)-Ga(5) bond length is 3.11 Å. The Sc(3)-Ga(6) bond length is 3.14 Å. There is one shorter (2.96 Å) and one longer (3.01 Å) Sc(3)-Ga(2) bond length. There is one shorter (2.94 Å) and one longer (3.18 Å) Sc(3)-Ga(3) bond length. There is one shorter (2.85 Å) and one longer (2.90 Å) Sc(3)-Ga(4) bond length. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(5) atom. The Ni(1)-Ga(2) bond length is 2.44 Å. The Ni(1)-Ga(3) bond length is 2.45 Å. The Ni(1)-Ga(5) bond length is 2.51 Å. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Sc(3), one Ga(5), one Ga(6), two equivalent Ga(2), and two equivalent Ga(3) atoms. The Ga(1)-Ga(5) bond length is 2.68 Å. The Ga(1)-Ga(6) bond length is 2.70 Å. Both Ga(1)-Ga(2) bond lengths are 2.69 Å. There is one shorter (2.67 Å) and one longer (2.69 Å) Ga(1)-Ga(3) bond length. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. The Ga(2)-Ga(4) bond length is 2.62 Å. The Ga(2)-Ga(6) bond length is 2.98 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), and two equivalent Ga(1) atoms. The Ga(3)-Ga(4) bond length is 2.63 Å. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(6) atom. The Ga(4)-Ga(6) bond length is 2.55 Å. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the sixth Ga site, Ga(6) is bonded in a distorted cuboctahedral geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms.