Materials Data on MgSb by Materials Project

Abstract

MgSb crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.84–3.03 Å. In the second Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.01–3.12 Å. In the third Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.22–3.42 Å. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to six Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Mg2+ atoms.