PbSn3 is Hg_xSn-derived structured and crystallizes in the orthorhombic Pmmm space group. Pb(1) is bonded to four equivalent Pb(1) and four equivalent Sn(1) atoms to form PbSn4Pb4 hexagonal bipyramids that share corners with four equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, corners with four equivalent Sn(2)Sn8 hexagonal bipyramids, edges with two equivalent Sn(2)Sn8 hexagonal bipyramids, edges with six equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, and edges with sixteen equivalent Sn(1)Sn6Pb2 hexagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Pb(1), two equivalent Sn(2), and four equivalent Sn(1) atoms to form SnSn6Pb2 hexagonal bipyramids that share corners with eight equivalent Sn(1)Sn6Pb2 hexagonal bipyramids, edges with eight equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, edges with eight equivalent Sn(1)Sn6Pb2 hexagonal bipyramids, and edges with eight equivalent Sn(2)Sn8 hexagonal bipyramids. In the second Sn site, Sn(2) is bonded to four equivalent Sn(1) and four equivalent Sn(2) atoms to form SnSn8 hexagonal bipyramids that share corners with four equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, corners with four equivalent Sn(2)Sn8 hexagonal bipyramids, edges with two equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, edges with six equivalent Sn(2)Sn8 hexagonal bipyramids, and edges with sixteen equivalent Sn(1)Sn6Pb2 hexagonal bipyramids.
PbSn3 is Hg_xSn-derived structured and crystallizes in the orthorhombic Pmmm space group. Pb(1) is bonded to four equivalent Pb(1) and four equivalent Sn(1) atoms to form PbSn4Pb4 hexagonal bipyramids that share corners with four equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, corners with four equivalent Sn(2)Sn8 hexagonal bipyramids, edges with two equivalent Sn(2)Sn8 hexagonal bipyramids, edges with six equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, and edges with sixteen equivalent Sn(1)Sn6Pb2 hexagonal bipyramids. There are two shorter (3.13 Å) and two longer (3.23 Å) Pb(1)-Pb(1) bond lengths. All Pb(1)-Sn(1) bond lengths are 3.39 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Pb(1), two equivalent Sn(2), and four equivalent Sn(1) atoms to form SnSn6Pb2 hexagonal bipyramids that share corners with eight equivalent Sn(1)Sn6Pb2 hexagonal bipyramids, edges with eight equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, edges with eight equivalent Sn(1)Sn6Pb2 hexagonal bipyramids, and edges with eight equivalent Sn(2)Sn8 hexagonal bipyramids. Both Sn(1)-Sn(2) bond lengths are 3.26 Å. There are two shorter (3.13 Å) and two longer (3.23 Å) Sn(1)-Sn(1) bond lengths. In the second Sn site, Sn(2) is bonded to four equivalent Sn(1) and four equivalent Sn(2) atoms to form SnSn8 hexagonal bipyramids that share corners with four equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, corners with four equivalent Sn(2)Sn8 hexagonal bipyramids, edges with two equivalent Pb(1)Sn4Pb4 hexagonal bipyramids, edges with six equivalent Sn(2)Sn8 hexagonal bipyramids, and edges with sixteen equivalent Sn(1)Sn6Pb2 hexagonal bipyramids. There are two shorter (3.13 Å) and two longer (3.23 Å) Sn(2)-Sn(2) bond lengths.