Materials Data on MgSn3 by Materials Project

Abstract

MgSn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Sn atoms to form MgSn12 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg4Sn8 cuboctahedra, edges with eighteen equivalent SnMg4Sn8 cuboctahedra, faces with eight equivalent MgSn12 cuboctahedra, and faces with twelve equivalent SnMg4Sn8 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.36 Å) Mg–Sn bond lengths. Sn is bonded to four equivalent Mg and eight equivalent Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with four equivalent MgSn12 cuboctahedra, corners with fourteen equivalent SnMg4Sn8 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, edges with twelve equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with sixteen equivalent SnMg4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.27–3.38 Å.