Materials Data on AsH4NF6 by Materials Project
AsNH4F6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one AsNH4F6 ribbon oriented in the (1, 1, 1) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.80 Å. N3- is bonded in a square co-planar geometry to four H1+ atoms. There is two shorter (1.06 Å) and two longer (1.07 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.65 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one As5+ and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.