Materials Data on KTeHOF4 by Materials Project

Abstract

KHTeOF4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to one O2- and seven F1- atoms. The K–O bond length is 2.79 Å. There are a spread of K–F bond distances ranging from 2.62–3.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te4+ is bonded in a square pyramidal geometry to one O2- and four F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 2.02–2.10 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te4+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom.