Materials Data on H4NF3 by Materials Project

Abstract

NH4F3 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight NH4F3 ribbons oriented in the (1, 0, 0) direction. N1- is bonded in a linear geometry to two equivalent H1+ atoms. Both N–H bond lengths are 1.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one N1- and one F1- atom. The H–F bond length is 1.30 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.10 Å) and one longer (1.20 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two H1+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent H1+ atoms.