Electrochemically lithiated vanadium oxide, Li3V6O13

Single crystals of V6O13 Were grown by chemical vapour transport (CVT) and subsequently electrochemically lithiated. The title compound, trilithium hexavanadium tridecaoxide, was the phase formed during electrochemical lithiation at 2.45 V versus Li/Li+. The Li3V6O13 structure comprises single and double layers of VO6 octahedra stacked in the c direction. Lithiation results in a 6.5% expansion along the b axis with respect to V6O13 Li atoms are located in two types of crystallographically independent sites: (i) a fully occupied 4i site with fivefold square-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 quadratic O-atom coordination [Li-O distances in the range 1.99(1)-2.08 (5) Angstrom].