Materials Data on Mg2Sn by Materials Project

Abstract

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Sn atoms to form distorted MgMg6Sn6 cuboctahedra that share corners with ten equivalent SnMg8 cuboctahedra, corners with twelve MgMg4Sn2 cuboctahedra, edges with five equivalent SnMg8 cuboctahedra, edges with fifteen MgMg6Sn6 cuboctahedra, and faces with six equivalent MgMg6Sn6 cuboctahedra. There are two shorter (3.15 Å) and four longer (3.27 Å) Mg–Mg bond lengths. There are two shorter (3.16 Å) and four longer (3.28 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded to four equivalent Mg and two equivalent Sn atoms to form distorted MgMg4Sn2 cuboctahedra that share corners with eight MgMg6Sn6 cuboctahedra, corners with fourteen equivalent SnMg8 cuboctahedra, edges with five equivalent SnMg8 cuboctahedra, and edges with thirteen MgMg4Sn2 cuboctahedra. Both Mg–Sn bond lengths are 3.15 Å. Sn is bonded to eight Mg atoms to form distorted SnMg8 cuboctahedra that share corners with four equivalent SnMg8 cuboctahedra, corners with twenty-four MgMg6Sn6 cuboctahedra, edges with six equivalent SnMg8 cuboctahedra, edges with ten MgMg6Sn6 cuboctahedra, and faces with four equivalent SnMg8 cuboctahedra.