Materials Data on Mo3NO9 by Materials Project
(MoO3)6N2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two ammonia molecules and one MoO3 framework. In the MoO3 framework, Mo5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom.