Darstellung und Aufbau von BaLi[BO3]

Preparation and Crystal Structure of BaLi[BO₃] For the first time colourless lamellar single crystals of BaLi[BO₃] have been prepared from intimate mixtures of BaO₂, Li₂O and B₂O₃. The structure determination from four-circle diffractometer data (MoKα , 882 independent reflections, R = 2.4%, R_w = 1.9%) confirms the space group P 2₁/c with Z = 4; a = 646.1(3), b = 710.7(2), c = 740.3(3) pm, β = 117.99(3)°. Characteristic units of the structure are layers {Li[BO₃]} parallel to (100) consisting of trigonal planar [BO₃] groups and distorted [LiO₅] pyramids. Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR), the Madelung Part of Lattice Energy (MAPLE) and the Charge Distribution (CHARDI) are calculated and discussed.