Materials Data on AlV6Sn by Materials Project

Abstract

V6AlSn crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Al, and two equivalent Sn atoms. There are one shorter (2.34 Å) and one longer (2.56 Å) V–V bond lengths. Both V–Al bond lengths are 2.71 Å. Both V–Sn bond lengths are 2.76 Å. Al is bonded to twelve equivalent V atoms to form AlV12 cuboctahedra that share edges with six equivalent AlV12 cuboctahedra and faces with eight equivalent SnV12 cuboctahedra. Sn is bonded to twelve equivalent V atoms to form SnV12 cuboctahedra that share edges with six equivalent SnV12 cuboctahedra and faces with eight equivalent AlV12 cuboctahedra.