Materials Data on MgSb by Materials Project

MgSb crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight Sb2- atoms to form a mixture of distorted corner and edge-sharing MgSb8 hexagonal bipyramids. There are a spread of Mg–Sb bond distances ranging from 2.92–3.31 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.97–3.06 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Mg2+ atoms. In the second Sb2- site, Sb2- is bonded to six Mg2+ atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.

锑化镁（MgSb）以单斜晶系C2空间群结晶。其结构为三维框架结构，包含两个不等价的Mg²+晶位。在第一个Mg²+晶位中，Mg²+与8个Sb²-原子配位，形成兼具畸变特征的共角与共边MgSb₈六方双锥配位多面体，Mg-Sb键的键长分布范围为2.92~3.31埃。在第二个Mg²+晶位中，Mg²+以畸变跷跷板型配位模式与4个Sb²-原子配位，Mg-Sb键的键长分布范围为2.97~3.06埃。此外，体系存在两个不等价的Sb²-晶位：在第一个Sb²-晶位中，Sb²-以八配位模式与5个Mg²+原子配位；在第二个Sb²-晶位中，Sb²-与6个Mg²+原子配位，形成畸变的共角型SbMg₆五角锥配位多面体。