Nd4NiGa18 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to four equivalent Ga(3), four equivalent Ga(5), four equivalent Ga(6), and four equivalent Ga(7) atoms. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four 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 seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(4), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ga(1), and two equivalent Ga(5) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(1), and four equivalent Ga(2) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(6), and four equivalent Ga(3) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(5), and four equivalent Ga(7) atoms. In the seventh Ga site, Ga(7) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(6) atoms.
Nd4NiGa18 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 16-coordinate geometry to four equivalent Ga(3), four equivalent Ga(5), four equivalent Ga(6), and four equivalent Ga(7) atoms. All Nd(1)-Ga(3) bond lengths are 3.42 Å. All Nd(1)-Ga(5) bond lengths are 3.34 Å. All Nd(1)-Ga(6) bond lengths are 3.36 Å. All Nd(1)-Ga(7) bond lengths are 3.44 Å. In the second Nd site, Nd(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. All Nd(2)-Ga(1) bond lengths are 3.44 Å. All Nd(2)-Ga(2) bond lengths are 3.29 Å. All Nd(2)-Ga(3) bond lengths are 3.61 Å. All Nd(2)-Ga(4) bond lengths are 3.28 Å. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. All Ni(1)-Ga(2) bond lengths are 2.56 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(4), and four equivalent Ga(3) atoms. The Ga(1)-Ga(4) bond length is 2.48 Å. All Ga(1)-Ga(3) bond lengths are 2.61 Å. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(2), and two equivalent Ga(4) atoms. The Ga(2)-Ga(2) bond length is 2.59 Å. Both Ga(2)-Ga(4) bond lengths are 2.63 Å. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Ga(1), and two equivalent Ga(5) atoms. Both Ga(3)-Ga(5) bond lengths are 2.61 Å. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(1), and four equivalent Ga(2) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(6), and four equivalent Ga(3) atoms. The Ga(5)-Ga(6) bond length is 2.47 Å. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Ga(5), and four equivalent Ga(7) atoms. All Ga(6)-Ga(7) bond lengths are 2.60 Å. In the seventh Ga site, Ga(7) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(6) atoms.