Materials Data on MgPb2 by Materials Project

MgPb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six Pb atoms. There are three shorter (3.22 Å) and three longer (3.26 Å) Mg–Pb bond lengths. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pb atoms. All Pb–Pb bond lengths are 3.60 Å. In the second Pb site, Pb is bonded to twelve Pb atoms to form a mixture of corner, edge, and face-sharing PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.52 Å. In the third Pb site, Pb is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

二铅化镁（MgPb₂）结晶于六方晶系P-6m2空间群（hexagonal P-6m2 space group）。该晶体为三维结构。镁原子以12配位几何构型与六个铅原子成键，Mg-Pb键长分为两组：三条较短键长为3.22 Å，三条较长键长为3.26 Å。体系内存在三个不等价的铅原子位点：在第一个铅位点中，铅原子以12配位几何构型与三个等价的镁原子及三个等价的铅原子成键，所有Pb-Pb键长均为3.60 Å；在第二个铅位点中，铅原子与十二个铅原子成键，形成共享顶点、边与面的PbPb₁₂立方八面体（cuboctahedra）混合结构，所有Pb-Pb键长均为3.52 Å；在第三个铅位点中，铅原子以12配位几何构型与六个等价的镁原子成键。