Materials Data on Mg3Au by Materials Project

Abstract

Mg3Au crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. There are one shorter (2.84 Å) and two longer (2.90 Å) Mg–Au bond lengths. Au is bonded in a 10-coordinate geometry to ten Mg atoms.