Materials Data on H4NOF by Materials Project

Abstract

NH3OHF crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen NH3OHF clusters. N1- is bonded in a distorted tetrahedral geometry to three H1+ and one O2- atom. There are a spread of N–H bond distances ranging from 1.04–1.06 Å. The N–O bond length is 1.42 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.44 Å. O2- is bonded in a water-like geometry to one N1- and one H1+ atom. F1- is bonded in a distorted single-bond geometry to one H1+ atom.