Materials Data on YMg2 by Materials Project

Abstract

Mg2Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.39 Å. There are a spread of Mg–Y bond distances ranging from 3.42–3.63 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent Y atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to nine Mg and three equivalent Y atoms. There are two shorter (3.39 Å) and one longer (3.48 Å) Y–Y bond lengths.