Materials Data on Mo2N2O7 by Materials Project
(Mo2NO7)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one Mo2NO7 cluster. In the Mo2NO7 cluster, there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.28 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.01 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mo6+ and one O2- atom. The O–O bond length is 1.54 Å. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.