Materials Data on MgSb by Materials Project

Abstract

MgSb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted hexagonal planar geometry to six Sb2- atoms. There are two shorter (3.18 Å) and four longer (3.23 Å) Mg–Sb bond lengths. In the second Mg2+ site, Mg2+ is bonded in a 2-coordinate geometry to four Sb2- atoms. There are two shorter (3.11 Å) and two longer (3.40 Å) Mg–Sb bond lengths. In the third Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four Sb2- atoms. There are two shorter (2.98 Å) and two longer (2.99 Å) Mg–Sb bond lengths. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 12-coordinate geometry to four Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four Mg2+ atoms.