ScFe3Co8Ga4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded in a distorted body-centered cubic geometry to two equivalent Co(2), six equivalent Co(3), and six equivalent Ga(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(3), three equivalent Co(2), three equivalent Co(4), and three equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to two equivalent Co(4) and six equivalent Co(1) atoms. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), and four equivalent Ga(1) atoms. In the second Co site, Co(3) is bonded in a distorted body-centered cubic geometry to three equivalent Sc(1), one Fe(1), and four equivalent Ga(2) atoms. In the third Co site, Co(1) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), and four equivalent Ga(1) atoms. In the fourth Co site, Co(2) is bonded in a body-centered cubic geometry to one Sc(1), three equivalent Fe(1), one Ga(1), and three equivalent Ga(2) atoms. In the fifth Co site, Co(3) is bonded in a distorted body-centered cubic geometry to three equivalent Sc(1), one Fe(1), and four equivalent Ga(2) atoms. In the sixth Co site, Co(4) is bonded in a body-centered cubic geometry to one Fe(2), three equivalent Fe(1), one Ga(2), and three equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(4), and four equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a 14-coordinate geometry to three equivalent Sc(1); three equivalent Fe(1); one Co(4); three equivalent Co(2); and four Co(3,3) atoms.
ScFe3Co8Ga4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded in a distorted body-centered cubic geometry to two equivalent Co(2), six equivalent Co(3), and six equivalent Ga(2) atoms. Both Sc(1)-Co(2) bond lengths are 2.61 Å. All Sc(1)-Co(3) bond lengths are 2.55 Å. All Sc(1)-Ga(2) bond lengths are 2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(3), three equivalent Co(2), three equivalent Co(4), and three equivalent Ga(2) atoms. The Fe(1)-Co(1) bond length is 2.47 Å. The Fe(1)-Co(3) bond length is 2.44 Å. All Fe(1)-Co(2) bond lengths are 2.49 Å. All Fe(1)-Co(4) bond lengths are 2.50 Å. All Fe(1)-Ga(2) bond lengths are 2.89 Å. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to two equivalent Co(4) and six equivalent Co(1) atoms. Both Fe(2)-Co(4) bond lengths are 2.46 Å. All Fe(2)-Co(1) bond lengths are 2.50 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), and four equivalent Ga(1) atoms. The Co(1)-Fe(1) bond length is 2.47 Å. All Co(1)-Fe(2) bond lengths are 2.50 Å. There is one shorter (2.46 Å) and three longer (2.50 Å) Co(1)-Ga(1) bond lengths. In the second Co site, Co(3) is bonded in a distorted body-centered cubic geometry to three equivalent Sc(1), one Fe(1), and four equivalent Ga(2) atoms. All Co(3)-Sc(1) bond lengths are 2.55 Å. The Co(3)-Fe(1) bond length is 2.44 Å. There are three shorter (2.49 Å) and one longer (2.68 Å) Co(3)-Ga(2) bond length. In the third Co site, Co(1) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), and four equivalent Ga(1) atoms. There is one shorter (2.46 Å) and three longer (2.50 Å) Co(1)-Ga(1) bond lengths. In the fourth Co site, Co(2) is bonded in a body-centered cubic geometry to one Sc(1), three equivalent Fe(1), one Ga(1), and three equivalent Ga(2) atoms. The Co(2)-Ga(1) bond length is 2.43 Å. All Co(2)-Ga(2) bond lengths are 2.52 Å. In the fifth Co site, Co(3) is bonded in a distorted body-centered cubic geometry to three equivalent Sc(1), one Fe(1), and four equivalent Ga(2) atoms. There are three shorter (2.49 Å) and one longer (2.68 Å) Co(3)-Ga(2) bond length. In the sixth Co site, Co(4) is bonded in a body-centered cubic geometry to one Fe(2), three equivalent Fe(1), one Ga(2), and three equivalent Ga(1) atoms. The Co(4)-Ga(2) bond length is 2.49 Å. All Co(4)-Ga(1) bond lengths are 2.50 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a body-centered cubic geometry to one Co(2), three equivalent Co(4), and four equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a 14-coordinate geometry to three equivalent Sc(1); three equivalent Fe(1); one Co(4); three equivalent Co(2); and four Co(3,3) atoms.