Materials Data on Mg5Sn by Materials Project

Abstract

Mg5Sn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent Mg and two equivalent Sn atoms. All Mg–Mg bond lengths are 3.16 Å. Both Mg–Sn bond lengths are 3.17 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sn atoms to form distorted MgMg9Sn3 cuboctahedra that share corners with nine equivalent MgMg9Sn3 cuboctahedra, corners with nine equivalent SnMg12 cuboctahedra, edges with six equivalent MgMg9Sn3 cuboctahedra, faces with three equivalent SnMg12 cuboctahedra, and faces with five equivalent MgMg9Sn3 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. All Mg–Sn bond lengths are 3.26 Å. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Sn3 cuboctahedra, edges with six equivalent SnMg12 cuboctahedra, faces with two equivalent SnMg12 cuboctahedra, and faces with six equivalent MgMg9Sn3 cuboctahedra.