Materials Data on Ce2NiRu3 by Materials Project

Ce2Ru3Ni crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to nine equivalent Ru and three equivalent Ni atoms. There are three shorter (3.06 Å) and six longer (3.10 Å) Ce–Ru bond lengths. All Ce–Ni bond lengths are 3.13 Å. Ru is bonded to six equivalent Ce, four equivalent Ru, and two equivalent Ni atoms to form distorted RuCe6Ni2Ru4 cuboctahedra that share corners with four equivalent NiCe6Ru6 cuboctahedra, corners with fourteen equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent RuCe6Ni2Ru4 cuboctahedra, faces with six equivalent NiCe6Ru6 cuboctahedra, and faces with twelve equivalent RuCe6Ni2Ru4 cuboctahedra. All Ru–Ru bond lengths are 2.67 Å. Both Ru–Ni bond lengths are 2.61 Å. Ni is bonded to six equivalent Ce and six equivalent Ru atoms to form NiCe6Ru6 cuboctahedra that share corners with six equivalent NiCe6Ru6 cuboctahedra, corners with twelve equivalent RuCe6Ni2Ru4 cuboctahedra, edges with six equivalent NiCe6Ru6 cuboctahedra, and faces with eighteen equivalent RuCe6Ni2Ru4 cuboctahedra.

二铈三钌镍（Ce₂Ru₃Ni）结晶于三方晶系R-3m空间群，其晶体结构为三维结构。铈原子采用十二配位几何构型，与9个等价的钌原子和3个等价的镍原子成键。Ce-Ru键包含3条较短键长（3.06 Å）与6条较长键长（3.10 Å），所有Ce-Ni键的键长均为3.13 Å。钌原子与6个等价的铈原子、4个等价的钌原子以及2个等价的镍原子成键，形成畸变的RuCe₆Ni₂Ru₄立方八面体；该立方八面体与4个等价的NiCe₆Ru₆立方八面体共顶点、与14个等价的RuCe₆Ni₂Ru₄立方八面体共顶点，同时与6个等价的RuCe₆Ni₂Ru₄立方八面体共边，与6个等价的NiCe₆Ru₆立方八面体共面，还与12个等价的RuCe₆Ni₂Ru₄立方八面体共面。所有Ru-Ru键的键长均为2.67 Å，两条Ru-Ni键的键长均为2.61 Å。镍原子与6个等价的铈原子和6个等价的钌原子成键，形成NiCe₆Ru₆立方八面体；该立方八面体与6个等价的NiCe₆Ru₆立方八面体共顶点、与12个等价的RuCe₆Ni₂Ru₄立方八面体共顶点，同时与6个等价的NiCe₆Ru₆立方八面体共边，与18个等价的RuCe₆Ni₂Ru₄立方八面体共面。