Nd2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. Nd(1) is bonded to two equivalent In(2), four equivalent In(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form NdIn6Sn6 cuboctahedra that share corners with twelve equivalent Nd(1)In6Sn6 cuboctahedra, edges with four equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(2)Nd4In8 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, and faces with six equivalent Nd(1)In6Sn6 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Nd(1), two equivalent In(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form InNd4In2Sn6 cuboctahedra that share corners with twelve equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with four equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(2)Nd4In8 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, and faces with six equivalent In(1)Nd4In2Sn6 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(2) atoms to form InNd4In4Sn4 cuboctahedra that share corners with four equivalent In(2)Nd4In4Sn4 cuboctahedra, corners with eight equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with four equivalent In(2)Nd4In4Sn4 cuboctahedra, and faces with four equivalent Sn(2)Nd4In8 cuboctahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(3) atoms to form distorted SnNd4In4Sn4 cuboctahedra that share corners with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, corners with eight equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with eight equivalent Sn(2)Nd4In8 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, and faces with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra. In the second Sn site, Sn(2) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent In(2) atoms to form SnNd4In8 cuboctahedra that share corners with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with eight equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with four equivalent In(2)Nd4In4Sn4 cuboctahedra, and faces with four equivalent Sn(2)Nd4In8 cuboctahedra. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(1) atoms.
Nd2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. Nd(1) is bonded to two equivalent In(2), four equivalent In(1), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form NdIn6Sn6 cuboctahedra that share corners with twelve equivalent Nd(1)In6Sn6 cuboctahedra, edges with four equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(2)Nd4In8 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, and faces with six equivalent Nd(1)In6Sn6 cuboctahedra. Both Nd(1)-In(2) bond lengths are 3.37 Å. All Nd(1)-In(1) bond lengths are 3.39 Å. Both Nd(1)-Sn(1) bond lengths are 3.34 Å. Both Nd(1)-Sn(2) bond lengths are 3.31 Å. Both Nd(1)-Sn(3) bond lengths are 3.28 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Nd(1), two equivalent In(2), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form InNd4In2Sn6 cuboctahedra that share corners with twelve equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with four equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with two equivalent Sn(2)Nd4In8 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, and faces with six equivalent In(1)Nd4In2Sn6 cuboctahedra. Both In(1)-In(2) bond lengths are 3.28 Å. Both In(1)-Sn(1) bond lengths are 3.31 Å. Both In(1)-Sn(2) bond lengths are 3.34 Å. Both In(1)-Sn(3) bond lengths are 3.37 Å. In the second In site, In(2) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(2) atoms to form InNd4In4Sn4 cuboctahedra that share corners with four equivalent In(2)Nd4In4Sn4 cuboctahedra, corners with eight equivalent Sn(1)Nd4In4Sn4 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with two equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with four equivalent In(2)Nd4In4Sn4 cuboctahedra, and faces with four equivalent Sn(2)Nd4In8 cuboctahedra. All In(2)-Sn(2) bond lengths are 3.39 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(3) atoms to form distorted SnNd4In4Sn4 cuboctahedra that share corners with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra, corners with eight equivalent In(2)Nd4In4Sn4 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with eight equivalent Sn(2)Nd4In8 cuboctahedra, faces with two equivalent In(2)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, and faces with four equivalent Sn(1)Nd4In4Sn4 cuboctahedra. All Sn(1)-Sn(3) bond lengths are 3.39 Å. In the second Sn site, Sn(2) is bonded to four equivalent Nd(1), four equivalent In(1), and four equivalent In(2) atoms to form SnNd4In8 cuboctahedra that share corners with four equivalent Sn(2)Nd4In8 cuboctahedra, edges with eight equivalent Nd(1)In6Sn6 cuboctahedra, edges with eight equivalent In(1)Nd4In2Sn6 cuboctahedra, edges with eight equivalent Sn(1)Nd4In4Sn4 cuboctahedra, faces with four equivalent Nd(1)In6Sn6 cuboctahedra, faces with four equivalent In(1)Nd4In2Sn6 cuboctahedra, faces with four equivalent In(2)Nd4In4Sn4 cuboctahedra, and faces with four equivalent Sn(2)Nd4In8 cuboctahedra. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Nd(1), four equivalent In(1), and four equivalent Sn(1) atoms.