Fe3Ga4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to four equivalent Fe(4), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(3), one Ga(1), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(4) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Ga(2), one Ga(4), two equivalent Ga(1), and three equivalent Ga(3) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Fe(1), one Fe(2), four equivalent Fe(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), three equivalent Fe(4), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(2), two equivalent Fe(3), one Ga(2), one Ga(4), and two equivalent Ga(3) atoms.
Fe3Ga4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a cuboctahedral geometry to four equivalent Fe(4), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms. All Fe(1)-Fe(4) bond lengths are 2.57 Å. Both Fe(1)-Ga(1) bond lengths are 2.61 Å. Both Fe(1)-Ga(2) bond lengths are 2.64 Å. All Fe(1)-Ga(3) bond lengths are 2.65 Å. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(3), one Ga(1), two equivalent Ga(3), and four equivalent Ga(4) atoms. The Fe(2)-Fe(3) bond length is 2.75 Å. The Fe(2)-Ga(1) bond length is 2.46 Å. Both Fe(2)-Ga(3) bond lengths are 2.46 Å. There are two shorter (2.48 Å) and two longer (2.52 Å) Fe(2)-Ga(4) bond lengths. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(2), two equivalent Fe(4), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(4) atoms. Both Fe(3)-Fe(4) bond lengths are 2.57 Å. There is one shorter (2.51 Å) and one longer (2.70 Å) Fe(3)-Ga(2) bond length. Both Fe(3)-Ga(3) bond lengths are 2.54 Å. There are two shorter (2.56 Å) and two longer (2.65 Å) Fe(3)-Ga(4) bond lengths. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to one Fe(1), one Fe(3), one Ga(2), one Ga(4), two equivalent Ga(1), and three equivalent Ga(3) atoms. The Fe(4)-Ga(2) bond length is 2.53 Å. The Fe(4)-Ga(4) bond length is 2.52 Å. There is one shorter (2.48 Å) and one longer (2.50 Å) Fe(4)-Ga(1) bond length. There is one shorter (2.56 Å) and two longer (2.58 Å) Fe(4)-Ga(3) bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Fe(1), one Fe(2), four equivalent Fe(4), and four equivalent Ga(3) atoms. There are two shorter (2.93 Å) and two longer (2.94 Å) Ga(1)-Ga(3) bond lengths. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), two equivalent Fe(4), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. The Ga(2)-Ga(2) bond length is 2.75 Å. Both Ga(2)-Ga(3) bond lengths are 2.92 Å. Both Ga(2)-Ga(4) bond lengths are 2.92 Å. In the third Ga site, Ga(3) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), three equivalent Fe(4), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. There is one shorter (2.73 Å) and one longer (3.12 Å) Ga(3)-Ga(3) bond length. There is one shorter (3.01 Å) and one longer (3.05 Å) Ga(3)-Ga(4) bond length. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(2), two equivalent Fe(3), one Ga(2), one Ga(4), and two equivalent Ga(3) atoms. The Ga(4)-Ga(4) bond length is 2.60 Å.