Li_0.7NbS₂: Structural effects of increased alkali metal content

Crystals of lithium niobium disulfide [Li_yNbS₂; y = 0.70 (9)] have been prepared by separated reactants metathesis (SRM) at 1073 K. Single-crystal data collected at reduced temperature [150 (2) K] indicate that the compound is isostructural with Li_0.63NbS₂ [Salyer, Barker, Blake, Gregory & Wilson (2003). Acta Cryst. C59, i4-i6], crystallizing in the hexagonal space group P6₃/mmc (No. 194). Li _0.7NbS₂ shows an expansion of both the a and c lattice parameters when compared with previously reported results on Li _yNbS₂ intercalation compounds with y < 0.70. This provides the first single-crystal structural evidence of unit cell expansion with increasing lithium content in Li_yNbS₂, where y > 0.5. κ 2003 International Union of Crystallography Printed in Great Britain - all rights reserved.