Fe6Ga5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Fe(1), four equivalent Fe(5), one Ga(1), one Ga(4), and four equivalent Ga(2) atoms. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of face and corner-sharing FeGa6Fe6 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(1), one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(4) atom. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(5), and one Ga(4) atom. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(3) atom. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Fe(5), one Ga(1), one Ga(4), and two equivalent Ga(2) atoms.
Fe6Ga5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Fe(1), four equivalent Fe(5), one Ga(1), one Ga(4), and four equivalent Ga(2) atoms. The Fe(1)-Fe(1) bond length is 2.57 Å. There are two shorter (2.64 Å) and two longer (2.66 Å) Fe(1)-Fe(5) bond lengths. The Fe(1)-Ga(1) bond length is 2.66 Å. The Fe(1)-Ga(4) bond length is 2.46 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Fe(1)-Ga(2) bond lengths. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), one Ga(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. Both Fe(2)-Fe(3) bond lengths are 2.62 Å. Both Fe(2)-Fe(4) bond lengths are 2.69 Å. Both Fe(2)-Fe(5) bond lengths are 2.94 Å. The Fe(2)-Ga(3) bond length is 2.53 Å. There is one shorter (2.52 Å) and one longer (2.93 Å) Fe(2)-Ga(1) bond length. Both Fe(2)-Ga(2) bond lengths are 2.55 Å. There is one shorter (2.60 Å) and one longer (2.63 Å) Fe(2)-Ga(4) bond length. In the third Fe site, Fe(3) is bonded to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of face and corner-sharing FeGa6Fe6 cuboctahedra. Both Fe(3)-Fe(4) bond lengths are 2.52 Å. Both Fe(3)-Fe(5) bond lengths are 2.63 Å. Both Fe(3)-Ga(1) bond lengths are 2.53 Å. Both Fe(3)-Ga(2) bond lengths are 2.61 Å. Both Fe(3)-Ga(3) bond lengths are 2.55 Å. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. Both Fe(4)-Fe(5) bond lengths are 2.84 Å. Both Fe(4)-Ga(1) bond lengths are 2.52 Å. Both Fe(4)-Ga(2) bond lengths are 2.50 Å. Both Fe(4)-Ga(3) bond lengths are 2.57 Å. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(1), one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. The Fe(5)-Fe(5) bond length is 2.52 Å. The Fe(5)-Ga(1) bond length is 2.48 Å. The Fe(5)-Ga(3) bond length is 2.52 Å. There is one shorter (2.54 Å) and one longer (2.58 Å) Fe(5)-Ga(2) bond length. There is one shorter (2.54 Å) and one longer (2.76 Å) Fe(5)-Ga(4) bond length. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(4) atom. The Ga(1)-Ga(4) bond length is 2.73 Å. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(5), and one Ga(4) atom. The Ga(2)-Ga(4) bond length is 2.99 Å. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and one Ga(3) atom. The Ga(3)-Ga(3) bond length is 2.59 Å. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(2), four equivalent Fe(5), one Ga(1), one Ga(4), and two equivalent Ga(2) atoms. The Ga(4)-Ga(4) bond length is 2.58 Å.