Materials Data on MgSn2 by Materials Project

Abstract

MgSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to ten Sn atoms to form distorted MgSn10 cuboctahedra that share corners with four equivalent MgSn10 cuboctahedra, corners with eighteen SnMg6Sn6 cuboctahedra, edges with four SnMg6Sn6 cuboctahedra, edges with eight equivalent MgSn10 cuboctahedra, faces with six equivalent MgSn10 cuboctahedra, and faces with six equivalent SnMg6Sn6 cuboctahedra. There are a spread of Mg–Sn bond distances ranging from 3.28–3.33 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Mg and six Sn atoms to form distorted SnMg6Sn6 cuboctahedra that share corners with twelve equivalent MgSn10 cuboctahedra, corners with eighteen SnMg6Sn6 cuboctahedra, an edgeedge with one MgSn10 cuboctahedra, edges with seven equivalent SnMg4Sn2 cuboctahedra, faces with six equivalent MgSn10 cuboctahedra, and faces with twelve SnMg6Sn6 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.31–3.36 Å. In the second Sn site, Sn is bonded to four equivalent Mg and two equivalent Sn atoms to form distorted SnMg4Sn2 cuboctahedra that share corners with six equivalent MgSn10 cuboctahedra, corners with fourteen SnMg6Sn6 cuboctahedra, edges with three equivalent MgSn10 cuboctahedra, edges with thirteen SnMg6Sn6 cuboctahedra, and faces with two equivalent SnMg6Sn6 cuboctahedra.