Materials Data on Ce8InPd24 by Materials Project

Ce8Pd24In crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one InPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.01–3.05 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.94 Å. In the second Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce and eight Pd atoms. All Pd–Pd bond lengths are 2.94 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one In atom. The Pd–In bond length is 2.67 Å. In is bonded to six equivalent Pd atoms to form InPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

Ce₈Pd₂₄In晶体属于立方晶系Pm-3m空间群。其结构为三维结构。Ce原子与12个Pd原子成键，形成CePd₁₂立方八面体（cuboctahedra）；该立方八面体与12个等价的CePd₁₂立方八面体共用顶点，与6个等价的CePd₁₂立方八面体共用面，并与1个InPd₆八面体（octahedron）共用一个面。Ce-Pd键长（bond distance）分布在3.01–3.05 Å之间。存在三种不等价的Pd位点（site）。在第一个Pd位点中，Pd原子以四配位几何结构（coordinate geometry）与4个等价的Ce原子和2个等价的Pd原子成键；Pd-Pd键长均为2.94 Å。在第二个Pd位点中，Pd原子以扭曲的矩形跷跷板型几何结构与4个等价的Ce原子和8个Pd原子成键；所有Pd-Pd键长均为2.94 Å。在第三个Pd位点中，Pd原子以五配位几何结构与4个等价的Ce原子和1个In原子成键；Pd-In键长为2.67 Å。In原子与6个等价的Pd原子成键，形成InPd₆八面体；该八面体与8个等价的CePd₁₂立方八面体共用面。