Materials Data on La3SiI3 by Materials Project

La3SiI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La+2.33+ is bonded to two equivalent Si4- and four equivalent I1- atoms to form a mixture of edge and corner-sharing LaSi2I4 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. Both La–Si bond lengths are 2.98 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) La–I bond lengths. Si4- is bonded to six equivalent La+2.33+ atoms to form edge-sharing SiLa6 octahedra. I1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent La+2.33+ atoms.

La₃SiI₃结晶于立方晶系I4₁32空间群（cubic I4_132 space group）。该晶体结构为三维空间结构。电荷为+2.33的镧离子（La².³³⁺）与两个等价的Si⁴⁻及四个等价的I¹⁻原子成键，形成由共边与共顶点的LaSi₂I₄八面体（octahedra）混合构成的结构。共顶点八面体的倾斜角度范围为5°至10°。La-Si键的键长均为2.98埃（Å）。La-I键存在两组键长：两条为较短的3.31埃（Å），另外两条为较长的3.39埃（Å）。Si⁴⁻与六个等价的La².³³⁺原子成键，形成共边的SiLa₆八面体（octahedra）。I¹⁻以畸变的矩形跷跷板式配位构型与四个等价的La².³³⁺原子成键。