Materials Data on Ba3Mo2(NO3)2 by Materials Project

Abstract

Ba3Mo2(NO3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to one N3- and nine equivalent O2- atoms. The Ba–N bond length is 2.69 Å. There are three shorter (2.79 Å) and six longer (3.12 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.81 Å. Mo6+ is bonded in a tetrahedral geometry to one N3- and three equivalent O2- atoms. The Mo–N bond length is 1.75 Å. All Mo–O bond lengths are 1.86 Å. N3- is bonded in a distorted linear geometry to one Ba2+ and one Mo6+ atom. O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Mo6+ atom.