Nd2NiGa12 crystallizes in the tetragonal P4/nbm space group. Nd(1) is bonded in a 14-coordinate geometry to two equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to one Nd(1), two equivalent Ga(3), and four equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(4), and four equivalent Ga(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(3), and four equivalent Ga(2) atoms.
Nd2NiGa12 crystallizes in the tetragonal P4/nbm space group. Nd(1) is bonded in a 14-coordinate geometry to two equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Both Nd(1)-Ga(1) bond lengths are 3.19 Å. There are two shorter (3.24 Å) and two longer (3.25 Å) Nd(1)-Ga(2) bond lengths. All Nd(1)-Ga(3) bond lengths are 3.35 Å. All Nd(1)-Ga(4) bond lengths are 3.15 Å. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are four shorter (2.47 Å) and four longer (2.48 Å) Ni(1)-Ga(2) bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to one Nd(1), two equivalent Ga(3), and four equivalent Ga(1) atoms. Both Ga(1)-Ga(3) bond lengths are 2.60 Å. There are a spread of Ga(1)-Ga(1) bond distances ranging from 2.54-3.01 Å. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. The Ga(2)-Ga(2) bond length is 2.56 Å. Both Ga(2)-Ga(4) bond lengths are 2.61 Å. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(4), and four equivalent Ga(1) atoms. The Ga(3)-Ga(4) bond length is 2.44 Å. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(3), and four equivalent Ga(2) atoms.