Materials Data on TeH2NF5 by Materials Project

Abstract

NH2TeF5 is Protactinium structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two NH2TeF5 clusters. N3- is bonded in a distorted water-like geometry to two H1+ and one Te6+ atom. Both N–H bond lengths are 1.03 Å. The N–Te bond length is 1.98 Å. There are two 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 N3- atom. Te6+ is bonded in an octahedral geometry to one N3- and five F1- atoms. There are a spread of Te–F bond distances ranging from 1.88–1.90 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom.