Materials Data on K2O by Materials Project

Abstract

K2O is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.74–2.83 Å. In the second K1+ site, K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.65–2.77 Å. O2- is bonded to seven K1+ atoms to form a mixture of distorted edge and corner-sharing OK7 pentagonal bipyramids.