Materials Data on ReN2 by Materials Project

Abstract

ReN2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Re–N bond distances ranging from 1.96–2.35 Å. In the second Re6+ site, Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with two equivalent NRe3N tetrahedra and faces with two equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 1.93–2.16 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Re6+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Re6+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three Re6+ and one N3- atom. The N–N bond length is 1.36 Å. In the fourth N3- site, N3- is bonded to three Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with two equivalent ReN7 pentagonal bipyramids and corners with two equivalent NRe3N tetrahedra.