Materials Data on Be2BO4 by Materials Project

Be2BO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.60–1.66 Å. In the second Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.64 Å. B is bonded in a trigonal planar geometry to three O atoms. All B–O bond lengths are 1.38 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Be and one B atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Be and one B atom. In the third O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the fourth O site, O is bonded in a trigonal planar geometry to two equivalent Be and one B atom.