BiSn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Bi(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Sn(2) and four equivalent Bi(1) atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with four equivalent Bi(1)Sn12 cuboctahedra, edges with six equivalent Sn(2)Sn4Bi4 cuboctahedra, and faces with four equivalent Sn(2)Sn4Bi4 cuboctahedra. Bi(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form BiSn12 cuboctahedra that share corners with four equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Bi(1)Sn12 cuboctahedra, and faces with four equivalent Bi(1)Sn12 cuboctahedra.
BiSn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Bi(1) atoms. All Sn(1)-Bi(1) bond lengths are 3.33 Å. In the second Sn site, Sn(2) is bonded to four equivalent Sn(2) and four equivalent Bi(1) atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with four equivalent Bi(1)Sn12 cuboctahedra, edges with six equivalent Sn(2)Sn4Bi4 cuboctahedra, and faces with four equivalent Sn(2)Sn4Bi4 cuboctahedra. All Sn(2)-Sn(2) bond lengths are 3.33 Å. All Sn(2)-Bi(1) bond lengths are 3.54 Å. Bi(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form BiSn12 cuboctahedra that share corners with four equivalent Bi(1)Sn12 cuboctahedra, corners with sixteen equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Sn(2)Sn4Bi4 cuboctahedra, edges with eight equivalent Bi(1)Sn12 cuboctahedra, and faces with four equivalent Bi(1)Sn12 cuboctahedra.