Materials Data on MoN2 by Materials Project
MoN2 is Brookite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Mo–N bond distances ranging from 1.84–2.40 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms.