Materials Data on MgSn5 by Materials Project

Abstract

MgSn5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Sn atoms to form MgSn12 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, and faces with eight equivalent SnMg3Sn9 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.43 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Mg and four equivalent Sn atoms. There are two shorter (3.29 Å) and two longer (3.31 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to three equivalent Mg and nine Sn atoms to form distorted SnMg3Sn9 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent SnMg3Sn9 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with four equivalent SnMg3Sn9 cuboctahedra. All Sn–Sn bond lengths are 3.43 Å.