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 °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)Å, c=7.444(3)Å, α=90.00°, γ=120.00°, V=1002.3(5)Å3, 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, β-BaB2O4 and CsBO2 is presented.