DOI: 10.17188/1672081
title: Materials Data on Mg6AlZn by Materials Project

description: Mg6ZnAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Zn, and two equivalent Al atoms to form distorted MgMg8Al2Zn2 cuboctahedra that share corners with six equivalent ZnMg10 cuboctahedra, corners with six equivalent AlMg10 cuboctahedra, corners with ten equivalent MgMg8Al2Zn2 cuboctahedra, edges with fourteen MgMg8Al2Zn2 cuboctahedra, faces with two equivalent ZnMg10 cuboctahedra, faces with two equivalent AlMg10 cuboctahedra, and faces with sixteen MgMg8Al2Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.14 Å. There are one shorter (3.09 Å) and one longer (3.11 Å) Mg–Zn bond lengths. There are one shorter (3.09 Å) and one longer (3.11 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded to eight Mg, two equivalent Zn, and two equivalent Al atoms to form distorted MgMg8Al2Zn2 cuboctahedra that share corners with two equivalent ZnMg10 cuboctahedra, corners with two equivalent AlMg10 cuboctahedra, corners with eighteen MgMg8Al2Zn2 cuboctahedra, edges with two equivalent ZnMg10 cuboctahedra, edges with two equivalent AlMg10 cuboctahedra, edges with ten MgMg8Al2Zn2 cuboctahedra, faces with two equivalent ZnMg10 cuboctahedra, faces with two equivalent AlMg10 cuboctahedra, and faces with sixteen MgMg8Al2Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.15 Å. Both Mg–Zn bond lengths are 3.06 Å. Both Mg–Al bond lengths are 3.06 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Al atoms to form distorted MgMg10Al2 cuboctahedra that share corners with eighteen MgMg8Al2Zn2 cuboctahedra, edges with four equivalent AlMg10 cuboctahedra, edges with fourteen MgMg8Al2Zn2 cuboctahedra, faces with two equivalent AlMg10 cuboctahedra, faces with six equivalent ZnMg10 cuboctahedra, and faces with twelve MgMg8Al2Zn2 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. Both Mg–Al bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg8Al2Zn2 cuboctahedra, edges with four equivalent ZnMg10 cuboctahedra, edges with fourteen MgMg8Al2Zn2 cuboctahedra, faces with two equivalent ZnMg10 cuboctahedra, faces with six equivalent AlMg10 cuboctahedra, and faces with twelve MgMg8Al2Zn2 cuboctahedra. Both Mg–Zn bond lengths are 3.03 Å. Zn is bonded to ten Mg atoms to form distorted ZnMg10 cuboctahedra that share corners with four equivalent ZnMg10 cuboctahedra, corners with four equivalent AlMg10 cuboctahedra, corners with sixteen MgMg8Al2Zn2 cuboctahedra, edges with two equivalent AlMg10 cuboctahedra, edges with eight MgMg8Al2Zn2 cuboctahedra, faces with two equivalent ZnMg10 cuboctahedra, faces with two equivalent AlMg10 cuboctahedra, and faces with sixteen MgMg8Al2Zn2 cuboctahedra. Al is bonded to ten Mg atoms to form distorted AlMg10 cuboctahedra that share corners with four equivalent ZnMg10 cuboctahedra, corners with four equivalent AlMg10 cuboctahedra, corners with sixteen MgMg8Al2Zn2 cuboctahedra, edges with two equivalent ZnMg10 cuboctahedra, edges with eight MgMg8Al2Zn2 cuboctahedra, faces with two equivalent ZnMg10 cuboctahedra, faces with two equivalent AlMg10 cuboctahedra, and faces with sixteen MgMg8Al2Zn2 cuboctahedra.