Materials Data on Y3BCl3 by Materials Project

Y3BCl3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Y is bonded to two equivalent B and four equivalent Cl atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. Both Y–B bond lengths are 2.57 Å. There are two shorter (2.82 Å) and two longer (2.92 Å) Y–Cl bond lengths. B is bonded to six equivalent Y atoms to form edge-sharing BY6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Y atoms.

Y₃BCl₃结晶于立方晶系I4₁32空间群。其结构为三维结构。钇（Y）原子与两个等价的硼（B）原子及四个等价的氯（Cl）原子成键，形成兼具边共享与角共享特征的YB₂Cl₄八面体配位多面体。角共享八面体的倾斜角度介于5°至8°之间。两处Y-B键的键长均为2.57埃。Y-Cl键存在两种键长：两个较短键长为2.82埃，两个较长键长为2.92埃。硼（B）原子与六个等价的钇（Y）原子成键，形成边共享的BY₆八面体配位多面体。氯（Cl）原子以矩形跷跷板型配位几何构型与四个等价的钇（Y）原子成键。