Materials Data on Te2N2O7 by Materials Project

N2Te2O7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two N2Te2O7 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.36 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.41 Å) N–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.30 Å. In the second Te6+ site, Te6+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one N1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one N1+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to two Te6+ atoms.