Materials Data on TeS3N2 by Materials Project

Abstract

N2TeS3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two N2TeS3 sheets oriented in the (0, 0, 1) direction. N1+ is bonded in a water-like geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.73 Å) N–S bond length. Te4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.68 Å) and two longer (2.76 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one N1+ and two equivalent Te4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent N1+ atoms.