Materials Data on KH2CN5 by Materials Project
KCN5H2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N+1.40- atoms. There are a spread of K–N bond distances ranging from 2.79–3.22 Å. C4+ is bonded in a trigonal planar geometry to three N+1.40- atoms. There is two shorter (1.35 Å) and one longer (1.39 Å) C–N bond length. There are five inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a distorted see-saw-like geometry to two equivalent K1+ and two N+1.40- atoms. There is one shorter (1.32 Å) and one longer (1.35 Å) N–N bond length. In the second N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to two equivalent K1+, one C4+, and one N+1.40- atom. In the third N+1.40- site, N+1.40- is bonded in a 4-coordinate geometry to two equivalent K1+ and two N+1.40- atoms. The N–N bond length is 1.36 Å. In the fourth N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to two equivalent K1+, one C4+, and one N+1.40- atom. In the fifth N+1.40- site, N+1.40- is bonded in a trigonal non-coplanar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom.