Materials Data on Ce3PBr3 by Materials Project

Ce3PBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent P and four equivalent Br atoms to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. Both Ce–P bond lengths are 2.82 Å. There are two shorter (3.06 Å) and two longer (3.10 Å) Ce–Br bond lengths. P is bonded to six equivalent Ce atoms to form edge-sharing PCe6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Ce atoms.

Ce₃PBr₃晶体属于立方晶系I4₁32空间群。其晶体结构为三维构型。铈（Ce）与两个等价的磷（P）原子及四个等价的溴（Br）原子成键，构成兼具共边与共角连接特征的CeP₂Br₄八面体单元。共角八面体的倾斜角范围为4°至8°。Ce-P键的键长均为2.82埃。Ce-Br键的键长分为两组：两组为较短的3.06埃，其余两组为较长的3.10埃。磷（P）与六个等价的铈（Ce）原子成键，形成共边连接的PCe₆八面体单元。溴（Br）以矩形跷跷板型配位几何构型与四个等价的铈（Ce）原子成键。