Gd3Ni6Al2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), six equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Gd(1), three equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted hexagonal planar geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), and four equivalent Ni(2) atoms.
Gd3Ni6Al2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. All Gd(1)-Ni(1) bond lengths are 2.78 Å. All Gd(1)-Ni(2) bond lengths are 2.99 Å. All Gd(1)-Al(1) bond lengths are 3.18 Å. In the second Gd site, Gd(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), six equivalent Ni(2), and four equivalent Al(1) atoms. Both Gd(2)-Ni(1) bond lengths are 3.00 Å. There are four shorter (2.80 Å) and two longer (2.99 Å) Gd(2)-Ni(2) bond lengths. All Gd(2)-Al(1) bond lengths are 3.17 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), four equivalent Ni(2), and two equivalent Al(1) atoms. All Ni(1)-Ni(2) bond lengths are 2.57 Å. Both Ni(1)-Al(1) bond lengths are 2.47 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Gd(1), three equivalent Gd(2), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. Both Ni(2)-Ni(2) bond lengths are 2.57 Å. Both Ni(2)-Al(1) bond lengths are 2.46 Å. Al(1) is bonded in a distorted hexagonal planar geometry to two equivalent Gd(1), four equivalent Gd(2), two equivalent Ni(1), and four equivalent Ni(2) atoms.