Materials Data on KHC(NO)2 by Materials Project

Abstract

KCH(NO)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to four equivalent N1- and six equivalent O2- atoms. There are two shorter (3.10 Å) and two longer (3.22 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.81–2.98 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N1- and one H1+ atom. Both C–N bond lengths are 1.35 Å. The C–H bond length is 1.10 Å. N1- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one C4+, and one O2- atom. The N–O bond length is 1.28 Å. H1+ is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N1- atom.