Determination of the modulated structure of the misfit layer compound (LaS)1.196VS2

Single crystal X-ray diffraction was used to determine the modulated structure of the misfit layer compound (LaS)1.196VS2. This compound crystallizes in the triclinic system with cell parameters: as = 3.410 (1) Å, bs = 5.845(1) Å, cs = 11.191(2) Å, α ≈ 95.15(4), β ≈ 84.79(2)°, and γ ≈ 89.98(2)°, q = 0.5978(4)as* − 0.002(1)bs* + 0.004(2)cs*, and Vs = 221.2(1) Å3. A (3 + 1)D superspace group, X1¯(α,β,γ), was used to analyze the complete structure (X is referring to a pseudo C centering). The largest modulation amplitudes are observed for La-S (between La (subsystem 2) and S (subsystem 1)), as well as V-V distances. In connection with the large V-V modulation, we observed the formation of “linear vanadium clusters” that may impact on the transport properties.