Materials Data on TeMo3(NO6)2 by Materials Project

Abstract

Te(MoO4)3N2 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of four ammonia molecules and one Te(MoO4)3 framework. In the Te(MoO4)3 framework, Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent TeO6 octahedra and corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 21–47°. There are a spread of Mo–O bond distances ranging from 1.77–2.26 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. All Te–O bond lengths are 1.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one Te4+ atom.