Materials Data on KNa2BO3 by Materials Project

Abstract

KNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.83 Å) and two longer (3.13 Å) K–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are three shorter (2.33 Å) and two longer (2.47 Å) Na–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, four equivalent Na1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent K1+, two equivalent Na1+, and one B3+ atom.