A study of the cation order in hollandite-like MxT5S8 phases☆
Abstract The phases InTi5S8, InCr5S8, Ba0.50V5S8, Ba0.50V5S8, Ba0.51Cr5S8, Ba0.56Cr5S8 and Sr0.48Cr5S8 were prepared and their crystal structures determined from single crystal data and diffuse scattering. Their basic structure is isotypic to the TIV5S8 type with space group C2 m . Indium is in a split position resulting in an asymmetric four-fold coordination. In the BaxT5S8 phases the barium ions form one-dimensional domain structures (x ≈ 0.56) with a nine-fold superperiod along the b axis, or two-dimensional sheets (x ≈ 0.5) with mesh (2b, c). Strontium forms a three-dimensional superstructure.