Nd2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing NdIn8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent In(1) atoms.
Nd2NiIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms. Both Nd(1)-Ni(1) bond lengths are 3.11 Å. Both Nd(1)-In(3) bond lengths are 3.71 Å. All Nd(1)-In(1) bond lengths are 3.45 Å. All Nd(1)-In(2) bond lengths are 3.31 Å. In the second Nd site, Nd(2) is bonded to four equivalent Ni(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form a mixture of edge and face-sharing NdIn8Ni4 cuboctahedra. All Nd(2)-Ni(1) bond lengths are 3.33 Å. Both Nd(2)-In(1) bond lengths are 3.48 Å. Both Nd(2)-In(2) bond lengths are 3.16 Å. All Nd(2)-In(3) bond lengths are 3.33 Å. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(3), and two equivalent In(2) atoms. The Ni(1)-In(3) bond length is 2.64 Å. Both Ni(1)-In(2) bond lengths are 2.66 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one In(2), and two equivalent In(3) atoms. The In(1)-In(2) bond length is 2.86 Å. Both In(1)-In(3) bond lengths are 2.87 Å. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ni(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent In(1) atoms.