Synthesis and crystal structure of a new cesium barium borate, CsBaB3O6

A new ternary borate oxide, cesium barium borate, CsBaB3O6, has been synthesized by solid-state reaction at 700 degrees C, and the single crystals were grown using CsF as a flux. The crystal structure has been determined by X-ray diffraction. It crystallizes in the trigonal space group P321 with a cell of dimensions a = 12.469(3)angstrom, c = 7.444(3)angstrom, alpha = 90.00 degrees, gamma = 120.00 degrees, V = 1002.3(5)angstrom(3), Z = 6. The fundamental building units of CsBaB3O6 are the B3O6 plane hexagonal rings, which are parallel to each other and stack along the c-axis, and the Cs and Ba atoms alternately occupy sites between the B3O6 sheets. A comparison of the structures of CsBaB3O6, beta-BaB2O4 and CsBO2 is presented. (C) 2007 Elsevier Inc. All rights reserved.