Materials Data on ReN2 by Materials Project

Abstract

ReN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with four equivalent ReN7 pentagonal bipyramids, corners with three equivalent NRe3N tetrahedra, and edges with seven equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 2.07–2.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Re6+ atoms to form a mixture of edge and corner-sharing NRe4 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN7 pentagonal bipyramids, corners with twelve NRe4 tetrahedra, and edges with three NRe4 tetrahedra. The N–N bond length is 1.40 Å.