GdFe6Al6 crystallizes in the orthorhombic Immm space group. Gd(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Gd(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Gd(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(2), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms.
GdFe6Al6 crystallizes in the orthorhombic Immm space group. Gd(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. All Gd(1)-Fe(2) bond lengths are 3.23 Å. All Gd(1)-Fe(1) bond lengths are 3.29 Å. Both Gd(1)-Al(1) bond lengths are 3.00 Å. Both Gd(1)-Al(2) bond lengths are 2.92 Å. All Gd(1)-Al(3) bond lengths are 3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Gd(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. Both Fe(1)-Fe(1) bond lengths are 2.49 Å. Both Fe(1)-Fe(2) bond lengths are 2.49 Å. Both Fe(1)-Al(1) bond lengths are 2.62 Å. Both Fe(1)-Al(2) bond lengths are 2.61 Å. Both Fe(1)-Al(3) bond lengths are 2.53 Å. In the second Fe site, Fe(2) is bonded to two equivalent Gd(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd2Al6Fe4 cuboctahedra. Both Fe(2)-Al(1) bond lengths are 2.60 Å. Both Fe(2)-Al(2) bond lengths are 2.63 Å. Both Fe(2)-Al(3) bond lengths are 2.67 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(3) atoms. The Al(1)-Al(1) bond length is 2.63 Å. Both Al(1)-Al(3) bond lengths are 2.81 Å. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to one Gd(1), two equivalent Fe(2), four equivalent Fe(1), one Al(2), and two equivalent Al(3) atoms. The Al(2)-Al(2) bond length is 2.77 Å. Both Al(2)-Al(3) bond lengths are 2.96 Å. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Gd(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(2) atoms.