Materials Data on Mg2Sb by Materials Project

Mg2Sb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four equivalent Sb atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb atoms. There are a spread of Mg–Sb bond distances ranging from 2.96–3.00 Å. Sb is bonded to eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing SbMg8 hexagonal bipyramids.

二镁化锑（Mg₂Sb）以单斜晶系C2/m空间群结晶。该化合物的晶体结构为三维结构，体系中存在两个不等价的镁（Mg）原子位点。在第一个镁原子位点中，镁原子以十配位几何构型与四个等价的锑（Sb）原子成键，Mg-Sb键共四组，其中两组键长为3.11 Å（较短），另外两组为3.12 Å（较长）。在第二个镁原子位点中，镁原子以畸变矩形跷跷板型几何构型与四个等价的锑原子成键，该位点的Mg-Sb键距分布在2.96 Å至3.00 Å之间。锑原子与八个镁原子成键，形成兼具畸变棱共享、面共享与顶点共享特征的SbMg₈型六方双锥结构单元。