Materials Data on K2O by Materials Project

Abstract

K2O crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three 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 two shorter (2.78 Å) and two longer (2.98 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.80 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a linear geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.50 Å. O2- is bonded to seven K1+ atoms to form a mixture of distorted edge and corner-sharing OK7 hexagonal pyramids.