Materials Data on HfGaRh by Materials Project

HfRhGa crystallizes in the trigonal P31m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Rh and six equivalent Ga atoms. There are four shorter (2.79 Å) and one longer (2.86 Å) Hf–Rh bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.94–3.03 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. There are three shorter (2.59 Å) and three longer (2.60 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Rh–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Rh atoms.

HfRhGa晶体属于三方晶系P31m空间群（trigonal P31m space group），其结构为三维结构。铪（Hf）采取11配位几何构型，与5个铑（Rh）原子及6个等价的镓（Ga）原子成键。该体系中Hf–Rh键存在4条较短键长（2.79 Å）与1条较长键长（2.86 Å）；Hf–Ga键的键长分布范围为2.94~3.03 Å。体系内存在两个不等价的铑（Rh）位点：在第一个铑位点中，铑采取9配位几何构型，与3个等价的铪原子及6个等价的镓原子成键，其Rh–Ga键包含3条较短键长（2.59 Å）与3条较长键长（2.60 Å）；在第二个铑位点中，铑采取9配位几何构型，与6个等价的铪原子及3个等价的镓原子成键，所有该位点的Rh–Ga键键长均为2.68 Å。镓采取10配位几何构型，与6个等价的铪原子及4个铑原子成键。