Materials Data on Mg2Sb by Materials Project

Abstract

Mg2Sb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.31 Å. There are two shorter (3.15 Å) and four longer (3.30 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Sb atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.12 Å) and two longer (3.25 Å) Mg–Sb bond lengths. Sb is bonded in a 12-coordinate geometry to ten Mg atoms.