Materials Data on TeC2(NO2)4 by Materials Project

Abstract

C2Te(NO2)4 is beta Polonium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four C2Te(NO2)4 clusters. C4+ is bonded in a 2-coordinate geometry to two N1+ and one O2- atom. There is one shorter (1.27 Å) and one longer (1.34 Å) C–N bond length. The C–O bond length is 1.38 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 1-coordinate geometry to one C4+ and one O2- atom. The N–O bond length is 1.53 Å. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one O2- atom. The N–O bond length is 1.27 Å. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one C4+ and one N1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one N1+ and one Te4+ atom.