Materials Data on Mg2Sb by Materials Project

Abstract

Mg2Sb crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three Sb atoms. There are one shorter (3.04 Å) and two longer (3.15 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Sb atoms. There are two shorter (3.06 Å) and two longer (3.17 Å) Mg–Sb bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Sb atoms. There are a spread of Mg–Sb bond distances ranging from 3.05–3.32 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to four Sb atoms. There are two shorter (3.04 Å) and two longer (3.05 Å) Mg–Sb bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to seven Mg atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to eight Mg atoms.