Materials Data on BTe3(OF5)3 by Materials Project

Abstract

BTe3(OF5)3 is alpha-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two BTe3(OF5)3 clusters. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. Te6+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Te–O bond length is 1.92 Å. All Te–F bond lengths are 1.87 Å. O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Te6+ atom. There are three 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.