Materials Data on Mo3H12C4NO10 by Materials Project

Abstract

Mo3O10N(CH3)4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight tetramethylammonium molecules and one Mo3O10 framework. In the Mo3O10 framework, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in an octahedral geometry to six equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ and one O2- atom. The O–O bond length is 3.21 Å. In the fourth O2- site, O2- is bonded in an octahedral geometry to six equivalent O2- atoms.