Materials Data on La3AuI3 by Materials Project

La3AuI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Au and four equivalent I atoms to form a mixture of edge and corner-sharing LaAu2I4 octahedra. The corner-sharing octahedra tilt angles range from 5–11°. Both La–Au bond lengths are 3.03 Å. There are two shorter (3.35 Å) and two longer (3.40 Å) La–I bond lengths. Au is bonded to six equivalent La atoms to form edge-sharing AuLa6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.

La₃AuI₃晶体属于立方晶系I4₁32空间群。该晶体为三维结构。La原子与2个等价的Au原子及4个等价的I原子成键，形成兼具共边与共顶连接特征的LaAu₂I₄八面体。共顶八面体的倾斜角范围为5°至11°。La-Au键的键长均为3.03 Å。La-I键存在两组键长：两条较短键的键长为3.35 Å，另外两条较长键的键长为3.40 Å。Au原子与6个等价的La原子成键，形成共边连接的AuLa₆八面体。I原子以矩形跷跷板式配位几何构型与4个等价的La原子成键。