In2PbSn crystallizes in the tetragonal P4mm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent In(1), four equivalent In(2), and four equivalent Sn(1) atoms to form distorted InIn8Sn4 cuboctahedra that share corners with four equivalent In(1)In8Sn4 cuboctahedra, corners with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent Pb(1)In4Sn4Pb4 cuboctahedra, faces with four equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent In(1)In8Sn4 cuboctahedra. In the second In site, In(2) is bonded to four equivalent In(1), four equivalent In(2), and four equivalent Pb(1) atoms to form distorted InIn8Pb4 cuboctahedra that share corners with four equivalent In(2)In8Pb4 cuboctahedra, corners with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with four equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent In(2)In8Pb4 cuboctahedra. Pb(1) is bonded to four equivalent In(2), four equivalent Pb(1), and four equivalent Sn(1) atoms to form PbIn4Sn4Pb4 cuboctahedra that share corners with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, corners with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra. Sn(1) is bonded to four equivalent In(1), four equivalent Pb(1), and four equivalent Sn(1) atoms to form SnIn4Sn4Pb4 cuboctahedra that share corners with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, corners with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra.
In2PbSn crystallizes in the tetragonal P4mm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent In(1), four equivalent In(2), and four equivalent Sn(1) atoms to form distorted InIn8Sn4 cuboctahedra that share corners with four equivalent In(1)In8Sn4 cuboctahedra, corners with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent Pb(1)In4Sn4Pb4 cuboctahedra, faces with four equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent In(1)In8Sn4 cuboctahedra. All In(1)-In(1) bond lengths are 3.30 Å. All In(1)-In(2) bond lengths are 3.52 Å. All In(1)-Sn(1) bond lengths are 3.51 Å. In the second In site, In(2) is bonded to four equivalent In(1), four equivalent In(2), and four equivalent Pb(1) atoms to form distorted InIn8Pb4 cuboctahedra that share corners with four equivalent In(2)In8Pb4 cuboctahedra, corners with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with four equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent In(2)In8Pb4 cuboctahedra. All In(2)-In(2) bond lengths are 3.30 Å. All In(2)-Pb(1) bond lengths are 3.57 Å. Pb(1) is bonded to four equivalent In(2), four equivalent Pb(1), and four equivalent Sn(1) atoms to form PbIn4Sn4Pb4 cuboctahedra that share corners with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, corners with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.30 Å. All Pb(1)-Sn(1) bond lengths are 3.54 Å. Sn(1) is bonded to four equivalent In(1), four equivalent Pb(1), and four equivalent Sn(1) atoms to form SnIn4Sn4Pb4 cuboctahedra that share corners with four equivalent Sn(1)In4Sn4Pb4 cuboctahedra, corners with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(2)In8Pb4 cuboctahedra, edges with eight equivalent In(1)In8Sn4 cuboctahedra, edges with eight equivalent Pb(1)In4Sn4Pb4 cuboctahedra, faces with two equivalent In(2)In8Pb4 cuboctahedra, faces with four equivalent In(1)In8Sn4 cuboctahedra, faces with four equivalent Pb(1)In4Sn4Pb4 cuboctahedra, and faces with eight equivalent Sn(1)In4Sn4Pb4 cuboctahedra. All Sn(1)-Sn(1) bond lengths are 3.30 Å.