Materials Data on KCSN by Materials Project

Abstract

KCNS is Potassium thiocyanate-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (3.24 Å) and two longer (3.26 Å) K–N bond lengths. There are two shorter (3.24 Å) and two longer (3.25 Å) K–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 1.64 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom. S2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one C4+ atom.