Materials Data on Mg2Sb by Materials Project

Abstract

Mg2Sb crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Sb atoms. Both Mg–Mg bond lengths are 3.24 Å. There are two shorter (3.08 Å) and two longer (3.45 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Sb atoms to form a mixture of distorted edge and corner-sharing MgMg6Sb6 cuboctahedra. All Mg–Sb bond lengths are 3.26 Å. Sb is bonded in a 12-coordinate geometry to nine Mg and three equivalent Sb atoms. All Sb–Sb bond lengths are 3.28 Å.