Materials Data on Re3N by Materials Project
Re3N crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent Re and three equivalent N atoms. All Re–Re bond lengths are 2.72 Å. All Re–N bond lengths are 2.17 Å. In the second Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent NRe6 pentagonal pyramids, edges with six equivalent ReRe12 cuboctahedra, faces with six equivalent ReRe12 cuboctahedra, and faces with two equivalent NRe6 pentagonal pyramids. All Re–Re bond lengths are 2.84 Å. N is bonded to six equivalent Re atoms to form distorted NRe6 pentagonal pyramids that share corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent NRe6 pentagonal pyramids, and faces with two equivalent ReRe12 cuboctahedra.