Distorted Sb chains in the interlayer region of the antimonide-selenide MoSb2Se

MoSb2Se can be prepared by annealing the elements in the stoichiometric ratio in a sealed silica tube between 600 °C and 750 °C. MoSb2Se forms its own structure type, comprising MoSbSe layers that are topologically equivalent to the layers of β-MoTe2. The MoSbSe layers are interconnected to a truly three-dimensional structure by additional interlayer Sb atoms, which are covalently bonded to the Sb atoms of the surrounding MoSbSe layers. Large pseudo-octahedral voids remain between the interlayer Sb atom chains. A superstructure is formed creating alternating short and long Sb–Sb bonds along the b axis, as confirmed via electronic structure calculations. Large voids remain present between the interlayer Sb chains. MoSb2Se is metallic with small negative Seebeck coefficients.