Materials Data on KBO2 by Materials Project

Abstract

KBO2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to seven O2- atoms to form a mixture of distorted edge, face, and corner-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–2.90 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.32 Å) and two longer (1.43 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one B3+ atom.