Materials Data on TlCNO by Materials Project

Abstract

TlCNO crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. There are two shorter (3.04 Å) and two longer (3.10 Å) Tl–N bond lengths. There are two shorter (3.07 Å) and two longer (3.12 Å) Tl–O bond lengths. C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.20 Å. The C–O bond length is 1.23 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one C4+ atom. O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one C4+ atom.