Materials Data on MgZn by Materials Project

Abstract

MgZn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MgZn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Zn atoms. There are three shorter (2.83 Å) and three longer (2.85 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. In the third Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms.