Materials Data on Sn3Bi by Materials Project

Abstract

BiSn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Bi atoms. All Sn–Bi bond lengths are 3.33 Å. In the second Sn site, Sn is bonded to four equivalent Sn and four equivalent Bi atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with four equivalent BiSn12 cuboctahedra, edges with six equivalent SnSn4Bi4 cuboctahedra, and faces with four equivalent SnSn4Bi4 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å. All Sn–Bi bond lengths are 3.54 Å. Bi is bonded to twelve Sn atoms to form BiSn12 cuboctahedra that share corners with four equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent BiSn12 cuboctahedra, and faces with four equivalent BiSn12 cuboctahedra.