UFe6Ga6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(3), and two equivalent Ga(2) atoms.
UFe6Ga6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. All U(1)-Fe(2) bond lengths are 3.18 Å. All U(1)-Fe(1) bond lengths are 3.30 Å. Both U(1)-Ga(1) bond lengths are 3.06 Å. Both U(1)-Ga(3) bond lengths are 2.92 Å. All U(1)-Ga(2) bond lengths are 3.04 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. Both Fe(1)-Fe(1) bond lengths are 2.49 Å. Both Fe(1)-Fe(2) bond lengths are 2.52 Å. Both Fe(1)-Ga(1) bond lengths are 2.63 Å. Both Fe(1)-Ga(2) bond lengths are 2.52 Å. Both Fe(1)-Ga(3) bond lengths are 2.63 Å. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. Both Fe(2)-Ga(1) bond lengths are 2.65 Å. Both Fe(2)-Ga(2) bond lengths are 2.63 Å. Both Fe(2)-Ga(3) bond lengths are 2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(1), and two equivalent Ga(2) atoms. The Ga(1)-Ga(1) bond length is 2.61 Å. Both Ga(1)-Ga(2) bond lengths are 2.82 Å. In the second Ga site, Ga(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Ga(1), and two equivalent Ga(3) atoms. Both Ga(2)-Ga(3) bond lengths are 2.96 Å. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(3), and two equivalent Ga(2) atoms. The Ga(3)-Ga(3) bond length is 2.73 Å.