Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(3) atoms to form a mixture of edge and face-sharing NdGa12 cuboctahedra. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(4) and four equivalent Ga(5) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Ga(3), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(5), and two equivalent Ga(1) atoms.
Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(3) atoms to form a mixture of edge and face-sharing NdGa12 cuboctahedra. All Nd(1)-Ga(2) bond lengths are 3.20 Å. All Nd(1)-Ga(3) bond lengths are 3.24 Å. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Both Nd(2)-Ga(3) bond lengths are 3.35 Å. Both Nd(2)-Ga(4) bond lengths are 3.28 Å. Both Nd(2)-Ga(5) bond lengths are 3.28 Å. All Nd(2)-Ga(1) bond lengths are 3.16 Å. All Nd(2)-Ga(2) bond lengths are 3.32 Å. Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(4) and four equivalent Ga(5) atoms. All Ni(1)-Ga(4) bond lengths are 2.48 Å. All Ni(1)-Ga(5) bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(2), one Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms. The Ga(1)-Ga(2) bond length is 2.41 Å. Both Ga(1)-Ga(4) bond lengths are 2.60 Å. Both Ga(1)-Ga(5) bond lengths are 2.60 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Ga(3) atoms. Both Ga(2)-Ga(3) bond lengths are 2.42 Å. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Ga(3), and two equivalent Ga(2) atoms. The Ga(3)-Ga(3) bond length is 2.44 Å. In the fourth Ga site, Ga(4) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(4), and two equivalent Ga(1) atoms. The Ga(4)-Ga(4) bond length is 2.56 Å. In the fifth Ga site, Ga(5) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Ni(1), one Ga(5), and two equivalent Ga(1) atoms. The Ga(5)-Ga(5) bond length is 2.56 Å.