Materials Data on KTe3O6F by Materials Project

Abstract

KTe3O6F crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.90 Å) and three longer (2.96 Å) K–O bond lengths. The K–F bond length is 2.81 Å. Te4+ is bonded to four O2- and one F1- atom to form a mixture of distorted edge and corner-sharing TeO4F square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. The Te–F bond length is 2.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. F1- is bonded in a distorted trigonal pyramidal geometry to one K1+ and three equivalent Te4+ atoms.