Synthesis, structure, and thermoelectric properties of the new antimonide sulfide MoSb₂S

The structure of a new ternary compound, MoSb₂S, was identified by single-crystal X-ray diffraction. The title compound was synthesized by heating the elements in stoichiometric ratios in sealed silica tubes at 600-800 °C using small amounts of I₂ as a mineralizator. The compound crystallizes in a new structure type in the monoclinic space group C2/m [a = 36.157(3) Å, b = 6.3823(5) Å, c = 6.5379(5) Å, β = 95.093(2)°, Z = 16, R1/wR2 = 0.035/0.059]. Its crystal structure contains CdI₂-related layers (MoSbS) and Sb columns, namely a zigzag (cis-trans) chain and an equidistant ladder, both of which are located between the MoSbS layers. The results of thermoelectric measurements and electronic structure calculations indicate metallic properties.