Materials Data on K3Cu(CN)4 by Materials Project

Abstract

K3Cu(CN)4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.83–3.11 Å. Cu1+ is bonded in a tetrahedral geometry to four C2+ atoms. There is three shorter (1.95 Å) and one longer (1.96 Å) Cu–C bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom.