Fe4Co8GaSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Co(4); three equivalent Co(2); and four Co(1,1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Co(2); three equivalent Co(4); and four Co(3,3) atoms. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to one Fe(2), three equivalent Fe(1), one Si(2), and three equivalent Si(1) atoms. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to four equivalent Fe(2), three equivalent Ga(1), and one Si(1) atom. In the fourth Co site, Co(4) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), one Ga(1), and three equivalent Si(1) atoms. In the fifth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. In the sixth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. In the seventh Co site, Co(3) is bonded in a body-centered cubic geometry to four equivalent Fe(2), three equivalent Ga(1), and one Si(1) atom. In the eighth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to two equivalent Co(4) and six Co(3,3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Co(1), one Co(3), three equivalent Co(2), and three equivalent Co(4) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to two equivalent Co(2) and six Co(1,1) atoms.
Fe4Co8GaSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Co(4); three equivalent Co(2); and four Co(1,1) atoms. The Fe(1)-Co(4) bond length is 2.40 Å. All Fe(1)-Co(2) bond lengths are 2.45 Å. There is one shorter (2.43 Å) and three longer (2.44 Å) Fe(1)-Co(1,1) bond lengths. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Co(2); three equivalent Co(4); and four Co(3,3) atoms. The Fe(2)-Co(2) bond length is 2.46 Å. All Fe(2)-Co(4) bond lengths are 2.47 Å. There are three shorter (2.43 Å) and one longer (2.51 Å) Fe(2)-Co(3,3) bond length. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. The Co(1)-Si(1) bond length is 2.44 Å. All Co(1)-Si(2) bond lengths are 2.45 Å. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to one Fe(2), three equivalent Fe(1), one Si(2), and three equivalent Si(1) atoms. The Co(2)-Si(2) bond length is 2.44 Å. All Co(2)-Si(1) bond lengths are 2.45 Å. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to four equivalent Fe(2), three equivalent Ga(1), and one Si(1) atom. All Co(3)-Ga(1) bond lengths are 2.47 Å. The Co(3)-Si(1) bond length is 2.39 Å. In the fourth Co site, Co(4) is bonded in a body-centered cubic geometry to one Fe(1), three equivalent Fe(2), one Ga(1), and three equivalent Si(1) atoms. The Co(4)-Ga(1) bond length is 2.51 Å. All Co(4)-Si(1) bond lengths are 2.43 Å. In the fifth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. The Co(1)-Si(1) bond length is 2.44 Å. All Co(1)-Si(2) bond lengths are 2.45 Å. In the sixth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. There is one shorter (2.43 Å) and three longer (2.44 Å) Co(1)-Fe(1) bond lengths. The Co(1)-Si(1) bond length is 2.44 Å. All Co(1)-Si(2) bond lengths are 2.45 Å. In the seventh Co site, Co(3) is bonded in a body-centered cubic geometry to four equivalent Fe(2), three equivalent Ga(1), and one Si(1) atom. All Co(3)-Ga(1) bond lengths are 2.47 Å. The Co(3)-Si(1) bond length is 2.39 Å. In the eighth Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Fe(1), one Si(1), and three equivalent Si(2) atoms. There is one shorter (2.43 Å) and three longer (2.44 Å) Co(1)-Fe(1) bond lengths. The Co(1)-Si(1) bond length is 2.44 Å. All Co(1)-Si(2) bond lengths are 2.45 Å. Ga(1) is bonded in a distorted body-centered cubic geometry to two equivalent Co(4) and six Co(3,3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to one Co(1), one Co(3), three equivalent Co(2), and three equivalent Co(4) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to two equivalent Co(2) and six Co(1,1) atoms.