Materials Data on BaBe2(BO3)2 by Materials Project
BaBe2(BO3)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.85 Å) and four longer (2.95 Å) Ba–O bond lengths. Be2+ is bonded to four O2- atoms to form edge-sharing BeO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.67 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Be2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one Be2+, and one B3+ atom.