Materials Data on Re3Ni by Materials Project

Abstract

Re3Ni is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Ni atoms to form ReRe8Ni4 cuboctahedra that share corners with four equivalent NiRe12 cuboctahedra, corners with fourteen equivalent ReRe8Ni4 cuboctahedra, edges with six equivalent NiRe12 cuboctahedra, edges with twelve equivalent ReRe8Ni4 cuboctahedra, faces with four equivalent NiRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Ni4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.69–2.72 Å. There are two shorter (2.69 Å) and two longer (2.71 Å) Re–Ni bond lengths. Ni is bonded to twelve equivalent Re atoms to form NiRe12 cuboctahedra that share corners with six equivalent NiRe12 cuboctahedra, corners with twelve equivalent ReRe8Ni4 cuboctahedra, edges with eighteen equivalent ReRe8Ni4 cuboctahedra, faces with eight equivalent NiRe12 cuboctahedra, and faces with twelve equivalent ReRe8Ni4 cuboctahedra.