A combination of time-of-flight powder neutron diffraction and powder X-ray diffraction has been used to investigate the distribution of vanadium and chromium cations between two crystallographic sites in the series of ternary sulfides VxCr3-xS4 (0.0=x=1.0). These materials adopt the Cr3S4 structure (space group I2/m: a˜5.9, b˜3.4, c˜1.2 Å; ß˜91.4°) over the entire composition range. However, a marked change in the distribution of cations takes place in a region of composition in which anomalies have previously been observed in plots of cell parameters as a function of composition. Above x˜0.4, vanadium is almost equally apportioned between sites in a fully occupied cation layer and sites in an ordered vacancy layer, whereas at a composition V0.2Cr2.8S4, vanadium preferentially occupies sites in the ordered vacancy layer.
|Number of pages||6|
|Journal||Journal of Materials Chemistry|
|Publication status||Published - 1996|