Materials Data on K2NaCo(CN)6 by Materials Project

Abstract

K2Na(CN)6Co crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two cobalt molecules and one K2Na(CN)6 framework. In the K2Na(CN)6 framework, K1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.88–3.27 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.52–2.56 Å. There are three inequivalent C+2.33+ sites. In the first C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+, one Na1+, and one C+2.33+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one C+2.33+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+, one Na1+, and one C+2.33+ atom.