Materials Data on KH8N3 by Materials Project

Abstract

KN3H8 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are two shorter (2.83 Å) and two longer (2.93 Å) K–N bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) K–H bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to two equivalent K1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one K1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.