Materials Data on TlCSN by Materials Project

Abstract

TlCNS is Potassium thiocyanate structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (3.08 Å) and two longer (3.18 Å) Tl–N bond lengths. There are two shorter (3.39 Å) and two longer (3.49 Å) Tl–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.63 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one C4+ atom.