Materials Data on Mg3Sn by Materials Project

Abstract

Mg3Sn is Uranium Silicide-like structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteen equivalent MgMg8Sn4 cuboctahedra, edges with six equivalent SnMg12 cuboctahedra, edges with twelve equivalent MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–Sn bond distances ranging from 3.12–3.23 Å. Sn is bonded to twelve equivalent Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve equivalent MgMg8Sn4 cuboctahedra, edges with eighteen equivalent MgMg8Sn4 cuboctahedra, faces with eight equivalent SnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Sn4 cuboctahedra.