Materials Data on Te2W2N2O15 by Materials Project

Abstract

(WTeO6)4(N2)2(O2)3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of four ammonia molecules, two trioxidane molecules, and one WTeO6 framework. In the WTeO6 framework, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 34–39°. There is two shorter (1.93 Å) and four longer (1.95 Å) W–O bond length. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Te–O bond distances ranging from 1.94–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.