Materials Data on KMgBO3 by Materials Project

Abstract

KMgBO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.79 Å) and three longer (2.84 Å) K–O bond lengths. Mg2+ is bonded to six equivalent O2- atoms to form distorted corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three shorter (2.12 Å) and three longer (2.17 Å) Mg–O bond lengths. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+, two equivalent Mg2+, and one B3+ atom.