Sc3(FeGa3)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to one Fe(2), two equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), two equivalent Ga(4), and three equivalent Ga(2) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Ga(3), two equivalent Ga(4), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sc(2), four equivalent Sc(1), one Fe(2), one Ga(3), one Ga(4), two equivalent Ga(1), and two equivalent Ga(2) atoms to form FeSc5Ga6Fe cuboctahedra that share corners with five equivalent Fe(2)Sc3Ga8Fe cuboctahedra, edges with two equivalent Fe(1)Sc5Ga6Fe cuboctahedra, and faces with two equivalent Fe(2)Sc3Ga8Fe cuboctahedra. In the second Fe site, Fe(2) is bonded to one Sc(2), two equivalent Sc(1), one Fe(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted FeSc3Ga8Fe cuboctahedra that share corners with five equivalent Fe(1)Sc5Ga6Fe cuboctahedra, faces with two equivalent Fe(2)Sc3Ga8Fe cuboctahedra, and faces with two equivalent Fe(1)Sc5Ga6Fe cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), one Fe(1), two equivalent Fe(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), one Fe(1), one Fe(2), one Ga(3), one Ga(4), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 12-coordinate geometry to one Sc(2), four equivalent Sc(1), one Fe(1), two equivalent Fe(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Fe(1), and two equivalent Ga(2) atoms.
Sc3(FeGa3)2 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to one Fe(2), two equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), two equivalent Ga(4), and three equivalent Ga(2) atoms. The Sc(1)-Fe(2) bond length is 2.91 Å. There is one shorter (2.98 Å) and one longer (3.13 Å) Sc(1)-Fe(1) bond length. There is one shorter (2.85 Å) and one longer (2.86 Å) Sc(1)-Ga(1) bond length. There is one shorter (2.93 Å) and one longer (2.94 Å) Sc(1)-Ga(3) bond length. There is one shorter (2.84 Å) and one longer (2.98 Å) Sc(1)-Ga(4) bond length. There are a spread of Sc(1)-Ga(2) bond distances ranging from 3.04-3.10 Å. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Ga(3), two equivalent Ga(4), four equivalent Ga(1), and four equivalent Ga(2) atoms. The Sc(2)-Fe(1) bond length is 3.05 Å. The Sc(2)-Fe(2) bond length is 3.23 Å. The Sc(2)-Ga(3) bond length is 3.36 Å. There is one shorter (2.73 Å) and one longer (3.05 Å) Sc(2)-Ga(4) bond length. There are two shorter (2.96 Å) and two longer (3.07 Å) Sc(2)-Ga(1) bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) Sc(2)-Ga(2) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sc(2), four equivalent Sc(1), one Fe(2), one Ga(3), one Ga(4), two equivalent Ga(1), and two equivalent Ga(2) atoms to form FeSc5Ga6Fe cuboctahedra that share corners with five equivalent Fe(2)Sc3Ga8Fe cuboctahedra, edges with two equivalent Fe(1)Sc5Ga6Fe cuboctahedra, and faces with two equivalent Fe(2)Sc3Ga8Fe cuboctahedra. The Fe(1)-Fe(2) bond length is 2.55 Å. The Fe(1)-Ga(3) bond length is 2.40 Å. The Fe(1)-Ga(4) bond length is 2.50 Å. Both Fe(1)-Ga(1) bond lengths are 2.55 Å. Both Fe(1)-Ga(2) bond lengths are 2.61 Å. In the second Fe site, Fe(2) is bonded to one Sc(2), two equivalent Sc(1), one Fe(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted FeSc3Ga8Fe cuboctahedra that share corners with five equivalent Fe(1)Sc5Ga6Fe cuboctahedra, faces with two equivalent Fe(2)Sc3Ga8Fe cuboctahedra, and faces with two equivalent Fe(1)Sc5Ga6Fe cuboctahedra. Both Fe(2)-Ga(2) bond lengths are 2.63 Å. There is one shorter (2.63 Å) and one longer (2.64 Å) Fe(2)-Ga(3) bond length. There are two shorter (2.61 Å) and two longer (2.68 Å) Fe(2)-Ga(1) bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), one Fe(1), two equivalent Fe(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. The Ga(1)-Ga(1) bond length is 2.72 Å. The Ga(1)-Ga(3) bond length is 2.97 Å. There is one shorter (2.76 Å) and one longer (2.80 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), one Fe(1), one Fe(2), one Ga(3), one Ga(4), and two equivalent Ga(1) atoms. The Ga(2)-Ga(3) bond length is 2.61 Å. The Ga(2)-Ga(4) bond length is 2.61 Å. In the third Ga site, Ga(3) is bonded in a 12-coordinate geometry to one Sc(2), four equivalent Sc(1), one Fe(1), two equivalent Fe(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Fe(1), and two equivalent Ga(2) atoms.