Materials Data on TeP2(N2O7)2 by Materials Project

Abstract

P2Te(NO6)2(NO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitroxyl molecules and one P2Te(NO6)2 cluster. In the P2Te(NO6)2 cluster, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.47 Å) and one longer (1.60 Å) P–O bond length. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.26 Å) N–O bond length. Te6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.36 Å) Te–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one O2- atom. The O–O bond length is 1.56 Å. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one O2- atom.