Materials Data on K2TeH6(O3F)2 by Materials Project

Abstract

K2H6Te(O3F)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of K–O bond distances ranging from 2.73–2.93 Å. The K–F bond length is 2.89 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.36 Å. The H–F bond length is 1.05 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one H1+, and one Te6+ atom. F1- is bonded in a single-bond geometry to one K1+ and one H1+ atom.