The ladder structure of LiNb6Cl19

LiNb6Cl19 was obtained from a solid state reaction of Nb powder, NbCl5, and Li2C2 at 530 degreesC. The structure was refined by single-crystal X-ray d iffraction (space group Pmma (No. 51), Z = 2, a = 2814.6(1) pm, b = 687.35( 5) pm, c = 641.39(3) pm). It contains edge and face bridging [NbCl6] octahe dra forming the motif of a ladder. The parallel alignment of ladders yields a one-dimensional structure, with lithium ions occupying voids. Each ladde r combines characteristic fragments from the niobium chloride structures Nb Cl4, A(3)Nb(2)Cl(9) (A = Rb, Cs), and Nb3Cl8. The arrangement of niobium at oms in LiNb6Cl19 appears to be similar with trigonal niobium clusters obtai ned in the structure of Nb3Cl8. The electronic structures of niobium cluste rs in Nb3Cl8 and LiNb6Cl19 are compared with each other.