ELECTROCHEMICALLY LITHIATED VANADIUM-OXIDE, LI3V6O13

Single crystals of V6O13 Were grown by chemical vapour transport (CVT) and subsequently electrochemically lithiated. The title compound, tri lithium hexavanadium tridecaoxide, was the phase formed during electro chemical lithiation at 2.45 V versus Li/Li+. The Li3V6O13 structure co mprises single and double layers of VO6 octahedra stacked in the c dir ection. Lithiation results in a 6.5% expansion along the b axis with r espect to V6O13 Li atoms are located in two types of crystallographica lly independent sites: (i) a fully occupied 4i site with fivefold squa re-pyramidal O-atom coordination [Li-O distances in the range 1.960(1) -2.031(5) Angstrom]; (ii) one 50% occupied 4i site with planar quadrat ic O-atom coordination [Li-O distances in the range 1.99(1)-2.08 (5) A ngstrom].