Materials Data on Gd3BBr3 by Materials Project

Gd3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Gd is bonded to two equivalent B and four equivalent Br atoms to form a mixture of corner and edge-sharing GdB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Gd–B bond lengths are 2.63 Å. There are two shorter (2.97 Å) and two longer (3.09 Å) Gd–Br bond lengths. B is bonded to six equivalent Gd atoms to form edge-sharing BGd6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Gd atoms.

Gd₃BBr₃为刚玉衍生结构，结晶于立方I4₁32空间群。该结构为三维骨架结构。钆原子与两个等价的硼原子及四个等价的溴原子成键，形成兼具共角与共边特征的GdB₂Br₄八面体。共角八面体的倾斜角范围为7°至11°。Gd–B键的键长均为2.63 Å。Gd–Br键存在两组键长：两个较短键长为2.97 Å，其余两个较长键长为3.09 Å。硼原子与六个等价的钆原子成键，形成共边的BGd₆八面体。溴原子以矩形跷跷板状配位几何与四个等价的钆原子成键。