Materials Data on BeBO3 by Materials Project

Abstract

BeBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to twelve equivalent O atoms to form BeO12 cuboctahedra that share corners with twelve equivalent BeO12 cuboctahedra, faces with six equivalent BeO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Be–O bond lengths are 2.31 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent BeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.63 Å. O is bonded in a linear geometry to four equivalent Be and two equivalent B atoms.